REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xar_1_A DATA FIRST_RESID 3 DATA SEQUENCE MILEEKDASD WIYRGEGGAN LVLAYAGSSP LFVGKVIRIQ KARRNDXXXX DATA SEQUENCE XXXXXXSVLT SDEQHLWREN NELISSPNKE VLEQRYVQNV IIPLLGPKHV DATA SEQUENCE DAGVRVSVSK EFLECVDKKV TKQRPLWRVN AANVDTSHDS ALILNDHSLF DATA SEQUENCE SQGXXSGGDC ISVEIKPKCG FLPTSRFIGK ENMLKTSVSR FKMHQLLKLE DATA SEQUENCE YIEISEESEY DPLDLFSGSK ERVLEAIKAL YSTPQNNFRV FLNGSLILGG DATA SEQUENCE SGESTGRTSP EIGYAFEDAL KGFIQSEDGH RTECFLQLVS DAVYGSGVLD DATA SEQUENCE RLLEIQKLDK LDIEGAIHCY YDIINQPCPI CKEXXXXXXE LSLHALPLDE DATA SEQUENCE SLKIVKEYLI AATAKDCSIM ISFQSRNAWD SEPSGDYVSL KPTNQTFDYK DATA SEQUENCE VHFIDLSLKP LKRMESYYKL DKKIISFYNR KQKAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.309 176.300 0.015 0.000 1.140 3 M CA 0.000 55.317 55.300 0.028 0.000 0.988 3 M CB 0.000 32.604 32.600 0.007 0.000 1.302 4 I N 3.208 123.775 120.570 -0.004 0.000 2.359 4 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 4 I C -0.504 175.551 176.117 -0.103 0.000 0.987 4 I CA -0.804 60.464 61.300 -0.053 0.000 1.225 4 I CB 1.565 39.545 38.000 -0.033 0.000 1.366 4 I HN 0.037 nan 8.210 nan 0.000 0.466 5 L N 6.871 127.928 121.223 -0.276 0.000 2.315 5 L HA 0.303 4.643 4.340 -0.000 0.000 0.283 5 L C 0.495 177.158 176.870 -0.344 0.000 1.089 5 L CA 0.127 54.662 54.840 -0.508 0.000 0.833 5 L CB 0.103 41.360 42.059 -1.338 0.000 1.170 5 L HN 0.561 nan 8.230 nan 0.000 0.442 6 E N 2.220 122.370 120.200 -0.083 0.000 2.267 6 E HA 0.132 4.482 4.350 -0.000 0.000 0.258 6 E C 0.749 177.496 176.600 0.244 0.000 1.074 6 E CA -0.572 55.874 56.400 0.077 0.000 0.915 6 E CB 1.111 30.849 29.700 0.065 0.000 1.186 6 E HN 0.473 nan 8.360 nan 0.000 0.439 7 E N 0.886 121.213 120.200 0.212 0.000 2.065 7 E HA -0.283 4.067 4.350 -0.000 0.000 0.201 7 E C 1.220 177.942 176.600 0.203 0.000 1.016 7 E CA 1.903 58.426 56.400 0.205 0.000 0.818 7 E CB 0.096 29.863 29.700 0.111 0.000 0.749 7 E HN 0.257 nan 8.360 nan 0.000 0.453 8 K N 0.992 121.485 120.400 0.155 0.000 2.211 8 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 8 K C 1.642 178.347 176.600 0.176 0.000 1.047 8 K CA 1.565 57.931 56.287 0.130 0.000 0.935 8 K CB -0.107 32.451 32.500 0.096 0.000 0.728 8 K HN 0.225 nan 8.250 nan 0.000 0.452 9 D N 0.686 121.240 120.400 0.257 0.000 2.264 9 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 9 D C 1.797 178.393 176.300 0.493 0.000 0.966 9 D CA 1.101 55.307 54.000 0.344 0.000 0.864 9 D CB -0.107 40.886 40.800 0.323 0.000 0.933 9 D HN 0.254 nan 8.370 nan 0.000 0.499 10 A N 1.383 124.453 122.820 0.417 0.000 1.917 10 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 10 A C 2.354 180.053 177.584 0.192 0.000 1.182 10 A CA 2.329 54.495 52.037 0.215 0.000 0.633 10 A CB -0.665 18.322 19.000 -0.021 0.000 0.819 10 A HN 0.347 nan 8.150 nan 0.000 0.448 11 S N -0.700 115.079 115.700 0.131 0.000 2.474 11 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 11 S C 1.067 175.679 174.600 0.019 0.000 0.997 11 S CA 1.293 59.530 58.200 0.062 0.000 0.949 11 S CB -0.329 62.890 63.200 0.032 0.000 0.766 11 S HN 0.473 nan 8.310 nan 0.000 0.517 12 D N 0.304 120.716 120.400 0.020 0.000 2.347 12 D HA 0.173 4.813 4.640 -0.000 0.000 0.213 12 D C -0.665 175.373 176.300 -0.435 0.000 0.985 12 D CA 0.255 54.097 54.000 -0.263 0.000 0.879 12 D CB 0.096 40.702 40.800 -0.322 0.000 0.919 12 D HN 0.550 nan 8.370 nan 0.000 0.526 13 W N 0.682 121.979 121.300 -0.004 0.000 2.529 13 W HA 0.460 5.120 4.660 -0.000 0.000 0.321 13 W C -0.036 176.486 176.519 0.006 0.000 1.047 13 W CA -1.148 56.214 57.345 0.028 0.000 1.216 13 W CB 0.833 30.346 29.460 0.088 0.000 1.357 13 W HN -0.279 nan 8.180 nan 0.000 0.489 14 I N 2.104 122.804 120.570 0.217 0.000 2.603 14 I HA 0.494 4.664 4.170 -0.000 0.000 0.300 14 I C -0.703 175.539 176.117 0.207 0.000 1.017 14 I CA -1.228 60.169 61.300 0.163 0.000 1.098 14 I CB 1.092 39.141 38.000 0.081 0.000 1.279 14 I HN 0.417 nan 8.210 nan 0.000 0.437 15 Y N 5.464 125.807 120.300 0.073 0.000 2.702 15 Y HA 0.169 4.719 4.550 -0.000 0.000 0.336 15 Y C 1.001 176.952 175.900 0.084 0.000 1.235 15 Y CA 0.685 58.822 58.100 0.062 0.000 1.492 15 Y CB 0.593 39.071 38.460 0.029 0.000 1.308 15 Y HN 0.837 nan 8.280 nan 0.000 0.589 16 R N 2.434 122.578 120.500 -0.594 0.000 2.428 16 R HA 0.475 4.815 4.340 -0.000 0.000 0.193 16 R C -0.224 175.766 176.300 -0.518 0.000 0.852 16 R CA 0.826 56.712 56.100 -0.356 0.000 1.055 16 R CB 0.514 30.707 30.300 -0.177 0.000 1.343 16 R HN 0.911 nan 8.270 nan 0.000 0.655 17 G N -0.337 107.896 108.800 -0.945 0.000 2.313 17 G HA2 0.352 4.312 3.960 -0.000 0.000 0.296 17 G HA3 0.352 4.312 3.960 -0.000 0.000 0.296 17 G C -1.955 172.760 174.900 -0.309 0.000 1.356 17 G CA -0.237 44.551 45.100 -0.520 0.000 0.833 17 G HN 0.246 nan 8.290 nan 0.000 0.552 18 E N -0.895 119.285 120.200 -0.033 0.000 2.352 18 E HA 0.637 4.987 4.350 -0.000 0.000 0.280 18 E C 0.234 176.849 176.600 0.024 0.000 0.930 18 E CA -0.663 55.743 56.400 0.010 0.000 0.765 18 E CB 1.490 31.230 29.700 0.066 0.000 1.219 18 E HN 1.057 nan 8.360 nan 0.000 0.434 19 G N 0.680 109.494 108.800 0.023 0.000 2.531 19 G HA2 0.408 4.368 3.960 -0.000 0.000 0.253 19 G HA3 0.408 4.368 3.960 -0.000 0.000 0.253 19 G C 0.671 175.594 174.900 0.039 0.000 1.439 19 G CA -0.307 44.823 45.100 0.050 0.000 1.056 19 G HN 0.584 nan 8.290 nan 0.000 0.555 20 G N -1.259 107.582 108.800 0.068 0.000 2.494 20 G HA2 0.284 4.244 3.960 -0.000 0.000 0.216 20 G HA3 0.284 4.244 3.960 -0.000 0.000 0.216 20 G C 1.299 176.217 174.900 0.030 0.000 1.140 20 G CA 1.575 46.716 45.100 0.068 0.000 0.801 20 G HN 0.910 nan 8.290 nan 0.000 0.536 21 A N -0.538 122.296 122.820 0.023 0.000 2.259 21 A HA 0.436 4.756 4.320 -0.000 0.000 0.213 21 A C 0.393 177.967 177.584 -0.017 0.000 1.209 21 A CA -0.102 51.937 52.037 0.002 0.000 0.910 21 A CB 0.435 19.442 19.000 0.011 0.000 0.946 21 A HN 0.290 nan 8.150 nan 0.000 0.497 22 N N -0.870 117.824 118.700 -0.010 0.000 2.249 22 N HA 0.562 5.302 4.740 -0.000 0.000 0.296 22 N C -1.266 174.231 175.510 -0.022 0.000 1.051 22 N CA -0.317 52.719 53.050 -0.023 0.000 0.815 22 N CB 2.428 40.905 38.487 -0.016 0.000 1.487 22 N HN 0.219 nan 8.380 nan 0.000 0.475 23 L N 2.075 123.280 121.223 -0.031 0.000 2.322 23 L HA 0.723 5.063 4.340 -0.000 0.000 0.279 23 L C -1.303 175.537 176.870 -0.049 0.000 1.036 23 L CA -0.548 54.283 54.840 -0.015 0.000 0.807 23 L CB 1.204 43.267 42.059 0.007 0.000 1.226 23 L HN 0.309 nan 8.230 nan 0.000 0.433 24 V N 5.894 125.753 119.914 -0.091 0.000 2.483 24 V HA 0.475 4.595 4.120 -0.000 0.000 0.297 24 V C -0.685 175.339 176.094 -0.118 0.000 1.027 24 V CA -0.662 61.577 62.300 -0.101 0.000 0.855 24 V CB 1.628 33.395 31.823 -0.094 0.000 0.995 24 V HN 0.482 nan 8.190 nan 0.000 0.424 25 L N 3.806 125.018 121.223 -0.018 0.000 2.325 25 L HA 0.825 5.165 4.340 -0.000 0.000 0.278 25 L C 0.412 177.461 176.870 0.298 0.000 1.023 25 L CA -0.574 54.339 54.840 0.122 0.000 0.811 25 L CB 1.453 43.635 42.059 0.206 0.000 1.249 25 L HN 0.736 nan 8.230 nan 0.000 0.431 26 A N 2.156 125.146 122.820 0.283 0.000 2.306 26 A HA 0.474 4.794 4.320 -0.000 0.000 0.314 26 A C -0.856 176.900 177.584 0.287 0.000 1.164 26 A CA -0.402 51.808 52.037 0.289 0.000 0.822 26 A CB 0.372 19.433 19.000 0.102 0.000 1.130 26 A HN 0.556 nan 8.150 nan 0.000 0.496 27 Y N 1.593 121.853 120.300 -0.067 0.000 2.480 27 Y HA 0.298 4.848 4.550 0.000 0.000 0.338 27 Y C 0.965 176.670 175.900 -0.326 0.000 1.220 27 Y CA 0.963 58.677 58.100 -0.643 0.000 1.430 27 Y CB 1.032 39.036 38.460 -0.760 0.000 1.311 27 Y HN 0.707 nan 8.280 nan 0.000 0.575 28 A N 3.269 125.480 122.820 -1.014 0.000 2.377 28 A HA 0.365 4.685 4.320 -0.000 0.000 0.209 28 A C 1.129 178.263 177.584 -0.750 0.000 1.359 28 A CA 0.457 52.114 52.037 -0.633 0.000 1.026 28 A CB -0.703 18.075 19.000 -0.370 0.000 1.224 28 A HN 0.917 nan 8.150 nan 0.000 0.528 29 G N 0.136 108.101 108.800 -1.391 0.000 2.468 29 G HA2 0.341 4.301 3.960 -0.000 0.000 0.264 29 G HA3 0.341 4.301 3.960 -0.000 0.000 0.264 29 G C 0.805 175.539 174.900 -0.277 0.000 1.460 29 G CA 0.809 45.458 45.100 -0.751 0.000 1.060 29 G HN 0.866 nan 8.290 nan 0.000 0.543 30 S N -2.212 113.515 115.700 0.045 0.000 2.780 30 S HA 0.283 4.753 4.470 -0.000 0.000 0.248 30 S C 0.711 175.423 174.600 0.185 0.000 1.036 30 S CA 0.443 58.718 58.200 0.125 0.000 1.061 30 S CB 0.223 63.445 63.200 0.038 0.000 1.037 30 S HN 0.648 nan 8.310 nan 0.000 0.584 31 S N 3.437 119.320 115.700 0.305 0.000 2.509 31 S HA 0.250 4.720 4.470 -0.000 0.000 0.287 31 S C -1.479 173.136 174.600 0.026 0.000 1.248 31 S CA -1.024 57.276 58.200 0.168 0.000 1.089 31 S CB 0.550 63.900 63.200 0.250 0.000 0.900 31 S HN 0.113 nan 8.310 nan 0.000 0.496 32 P HA -0.130 nan 4.420 nan 0.000 0.218 32 P C 1.270 178.446 177.300 -0.207 0.000 1.146 32 P CA 1.059 64.107 63.100 -0.087 0.000 0.820 32 P CB 0.069 31.724 31.700 -0.076 0.000 0.778 33 L N -3.048 117.953 121.223 -0.370 0.000 2.093 33 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 33 L C 1.562 177.933 176.870 -0.831 0.000 1.085 33 L CA 1.467 55.885 54.840 -0.703 0.000 0.755 33 L CB -0.455 40.931 42.059 -1.122 0.000 0.904 33 L HN -0.025 nan 8.230 nan 0.000 0.435 34 F N -2.319 117.387 119.950 -0.406 0.000 2.706 34 F HA 0.181 4.708 4.527 -0.000 0.000 0.313 34 F C 0.771 176.237 175.800 -0.557 0.000 1.096 34 F CA -0.729 56.873 58.000 -0.665 0.000 1.219 34 F CB -0.289 37.886 39.000 -1.374 0.000 1.051 34 F HN -0.371 nan 8.300 nan 0.000 0.568 35 V N 1.462 121.304 119.914 -0.120 0.000 2.557 35 V HA 0.262 4.382 4.120 -0.000 0.000 0.301 35 V C 1.317 177.440 176.094 0.049 0.000 1.026 35 V CA 0.853 63.214 62.300 0.102 0.000 1.137 35 V CB -0.067 31.804 31.823 0.080 0.000 0.917 35 V HN 0.685 nan 8.190 nan 0.000 0.484 36 G N 3.596 112.448 108.800 0.086 0.000 2.198 36 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 36 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 36 G C 0.061 174.988 174.900 0.044 0.000 1.025 36 G CA 0.192 45.318 45.100 0.043 0.000 0.769 36 G HN 0.577 nan 8.290 nan 0.000 0.507 37 K N -0.601 119.865 120.400 0.111 0.000 2.350 37 K HA 0.808 5.128 4.320 -0.000 0.000 0.241 37 K C 0.233 177.009 176.600 0.294 0.000 0.994 37 K CA -0.444 55.947 56.287 0.174 0.000 0.839 37 K CB 2.677 35.314 32.500 0.228 0.000 1.244 37 K HN 0.731 nan 8.250 nan 0.000 0.443 38 V N -1.888 118.197 119.914 0.285 0.000 2.864 38 V HA 0.618 4.738 4.120 -0.000 0.000 0.314 38 V C -0.238 175.985 176.094 0.215 0.000 1.073 38 V CA -1.110 61.381 62.300 0.317 0.000 0.956 38 V CB 2.027 33.931 31.823 0.136 0.000 1.023 38 V HN 0.788 nan 8.190 nan 0.000 0.435 39 I N 2.431 123.031 120.570 0.049 0.000 2.378 39 I HA 0.655 4.825 4.170 -0.000 0.000 0.291 39 I C -0.143 175.896 176.117 -0.131 0.000 0.992 39 I CA -0.854 60.312 61.300 -0.224 0.000 1.154 39 I CB 1.306 38.842 38.000 -0.774 0.000 1.315 39 I HN 0.892 nan 8.210 nan 0.000 0.448 40 R N 7.887 128.333 120.500 -0.090 0.000 2.265 40 R HA 0.606 4.946 4.340 -0.000 0.000 0.328 40 R C -1.468 174.791 176.300 -0.070 0.000 0.969 40 R CA -0.361 55.702 56.100 -0.061 0.000 0.832 40 R CB 0.860 31.144 30.300 -0.026 0.000 1.139 40 R HN 0.615 nan 8.270 nan 0.000 0.457 41 I N 3.610 124.133 120.570 -0.077 0.000 2.378 41 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 41 I C 0.095 176.159 176.117 -0.089 0.000 0.992 41 I CA -0.882 60.369 61.300 -0.083 0.000 1.154 41 I CB 2.050 39.992 38.000 -0.097 0.000 1.315 41 I HN 0.461 nan 8.210 nan 0.000 0.448 42 Q N 5.559 125.287 119.800 -0.120 0.000 2.332 42 Q HA 0.234 4.574 4.340 -0.000 0.000 0.263 42 Q C -0.587 175.296 176.000 -0.194 0.000 0.979 42 Q CA -0.029 55.680 55.803 -0.158 0.000 0.885 42 Q CB 1.341 29.955 28.738 -0.207 0.000 1.218 42 Q HN 0.451 nan 8.270 nan 0.000 0.405 43 K N 0.804 121.126 120.400 -0.131 0.000 2.098 43 K HA 0.453 4.773 4.320 -0.000 0.000 0.261 43 K C -0.765 175.769 176.600 -0.109 0.000 0.987 43 K CA -0.438 55.783 56.287 -0.109 0.000 0.916 43 K CB 1.224 33.684 32.500 -0.067 0.000 1.039 43 K HN 0.570 nan 8.250 nan 0.000 0.455 44 A N 3.784 126.551 122.820 -0.089 0.000 2.341 44 A HA 0.222 4.542 4.320 -0.000 0.000 0.326 44 A C -0.286 177.279 177.584 -0.032 0.000 1.402 44 A CA -0.652 51.349 52.037 -0.059 0.000 0.957 44 A CB 0.120 19.090 19.000 -0.050 0.000 1.151 44 A HN 0.636 nan 8.150 nan 0.000 0.533 45 R N 1.873 122.362 120.500 -0.019 0.000 2.389 45 R HA 0.200 4.540 4.340 -0.000 0.000 0.295 45 R C 0.282 176.582 176.300 0.001 0.000 1.075 45 R CA -0.265 55.831 56.100 -0.005 0.000 1.005 45 R CB 1.042 31.343 30.300 0.002 0.000 0.987 45 R HN 0.715 nan 8.270 nan 0.000 0.452 46 R N 1.368 121.871 120.500 0.004 0.000 2.307 46 R HA -0.015 4.325 4.340 -0.000 0.000 0.199 46 R C 1.299 177.606 176.300 0.011 0.000 1.000 46 R CA 0.446 56.551 56.100 0.008 0.000 1.023 46 R CB 0.003 30.308 30.300 0.009 0.000 0.908 46 R HN 0.591 nan 8.270 nan 0.000 0.473 47 N N 0.639 119.346 118.700 0.013 0.000 2.142 47 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 47 N C 0.529 176.044 175.510 0.008 0.000 1.023 47 N CA 1.060 54.117 53.050 0.013 0.000 0.852 47 N CB -0.036 38.459 38.487 0.015 0.000 0.998 47 N HN 0.189 nan 8.380 nan 0.000 0.424 60 V N 1.610 121.516 119.914 -0.014 0.000 2.688 60 V HA 0.307 4.427 4.120 -0.000 0.000 0.256 60 V C 0.387 176.479 176.094 -0.003 0.000 1.084 60 V CA 1.257 63.545 62.300 -0.020 0.000 1.103 60 V CB -0.584 31.217 31.823 -0.037 0.000 0.688 60 V HN 0.396 nan 8.190 nan 0.000 0.480 61 L N 0.799 122.033 121.223 0.018 0.000 2.445 61 L HA 0.505 4.845 4.340 -0.000 0.000 0.262 61 L C 0.236 177.139 176.870 0.056 0.000 0.974 61 L CA -0.214 54.654 54.840 0.047 0.000 0.822 61 L CB 2.382 44.483 42.059 0.071 0.000 1.339 61 L HN 0.281 nan 8.230 nan 0.000 0.409 62 T N -2.029 112.566 114.554 0.069 0.000 2.766 62 T HA 0.024 4.374 4.350 -0.000 0.000 0.295 62 T C 1.229 175.970 174.700 0.068 0.000 1.024 62 T CA 0.240 62.376 62.100 0.059 0.000 1.018 62 T CB 1.448 70.349 68.868 0.056 0.000 1.002 62 T HN 0.610 nan 8.240 nan 0.000 0.532 63 S N 0.302 116.031 115.700 0.049 0.000 2.383 63 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 63 S C 1.545 176.185 174.600 0.067 0.000 1.030 63 S CA 1.714 59.945 58.200 0.052 0.000 1.002 63 S CB -0.890 62.327 63.200 0.028 0.000 0.829 63 S HN 0.765 nan 8.310 nan 0.000 0.467 64 D N 0.738 121.162 120.400 0.040 0.000 2.183 64 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 64 D C 1.983 178.340 176.300 0.096 0.000 0.969 64 D CA 0.816 54.829 54.000 0.022 0.000 0.842 64 D CB -0.306 40.470 40.800 -0.039 0.000 0.957 64 D HN 0.619 nan 8.370 nan 0.000 0.484 65 E N 0.657 120.935 120.200 0.130 0.000 2.150 65 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 65 E C 2.095 178.863 176.600 0.279 0.000 0.985 65 E CA 0.596 57.131 56.400 0.225 0.000 0.814 65 E CB 0.039 29.889 29.700 0.250 0.000 0.752 65 E HN 0.390 nan 8.360 nan 0.000 0.466 66 Q N -0.366 119.554 119.800 0.201 0.000 2.119 66 Q HA -0.191 4.149 4.340 -0.000 0.000 0.201 66 Q C 1.954 178.044 176.000 0.150 0.000 0.972 66 Q CA 1.208 57.117 55.803 0.177 0.000 0.847 66 Q CB -0.217 28.592 28.738 0.119 0.000 0.903 66 Q HN 0.405 nan 8.270 nan 0.000 0.433 67 H N 0.357 119.453 119.070 0.044 0.000 2.387 67 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 67 H C 1.891 177.199 175.328 -0.033 0.000 1.099 67 H CA 1.443 57.492 56.048 0.003 0.000 1.315 67 H CB 0.139 29.889 29.762 -0.020 0.000 1.380 67 H HN 0.132 nan 8.280 nan 0.000 0.513 68 L N -0.974 120.283 121.223 0.057 0.000 2.068 68 L HA -0.012 4.328 4.340 -0.000 0.000 0.204 68 L C 1.019 177.722 176.870 -0.278 0.000 1.076 68 L CA 1.270 56.002 54.840 -0.182 0.000 0.753 68 L CB -0.279 41.560 42.059 -0.366 0.000 0.910 68 L HN 0.331 nan 8.230 nan 0.000 0.439 69 W N 0.287 121.625 121.300 0.062 0.000 3.438 69 W HA 0.167 4.827 4.660 -0.000 0.000 0.322 69 W C 2.270 178.808 176.519 0.031 0.000 1.261 69 W CA -0.140 57.240 57.345 0.058 0.000 1.788 69 W CB -0.193 29.307 29.460 0.068 0.000 1.065 69 W HN 0.129 nan 8.180 nan 0.000 0.715 70 R N 1.373 121.952 120.500 0.132 0.000 2.103 70 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 70 R C 1.365 177.703 176.300 0.062 0.000 1.142 70 R CA 1.859 57.991 56.100 0.054 0.000 0.960 70 R CB -0.255 30.006 30.300 -0.064 0.000 0.858 70 R HN 0.083 nan 8.270 nan 0.000 0.439 71 E N 0.777 121.017 120.200 0.066 0.000 2.333 71 E HA -0.070 4.280 4.350 -0.000 0.000 0.198 71 E C -0.149 176.508 176.600 0.095 0.000 1.007 71 E CA 0.629 57.067 56.400 0.063 0.000 0.845 71 E CB -0.118 29.614 29.700 0.054 0.000 0.766 71 E HN 0.470 nan 8.360 nan 0.000 0.507 72 N N 1.085 119.875 118.700 0.150 0.000 2.851 72 N HA 0.049 4.789 4.740 -0.000 0.000 0.248 72 N C 0.377 175.955 175.510 0.112 0.000 1.221 72 N CA -0.099 53.036 53.050 0.142 0.000 0.847 72 N CB 0.901 39.516 38.487 0.212 0.000 1.150 72 N HN 0.029 nan 8.380 nan 0.000 0.507 73 N N 2.276 121.019 118.700 0.071 0.000 2.120 73 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 73 N C 1.782 177.316 175.510 0.041 0.000 1.024 73 N CA 1.434 54.517 53.050 0.054 0.000 0.852 73 N CB 0.250 38.758 38.487 0.034 0.000 1.003 73 N HN 0.395 nan 8.380 nan 0.000 0.424 74 E N 0.415 120.634 120.200 0.032 0.000 2.233 74 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 74 E C 1.789 178.396 176.600 0.011 0.000 1.004 74 E CA 0.895 57.305 56.400 0.017 0.000 0.819 74 E CB -0.670 29.038 29.700 0.012 0.000 0.738 74 E HN 0.400 nan 8.360 nan 0.000 0.478 75 L N 1.608 122.842 121.223 0.019 0.000 1.993 75 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 75 L C 2.765 179.636 176.870 0.002 0.000 1.074 75 L CA 1.866 56.700 54.840 -0.010 0.000 0.746 75 L CB -0.802 41.243 42.059 -0.024 0.000 0.896 75 L HN 0.343 nan 8.230 nan 0.000 0.435 76 I N -2.379 118.221 120.570 0.050 0.000 2.530 76 I HA -0.143 4.027 4.170 -0.000 0.000 0.257 76 I C 1.219 177.355 176.117 0.031 0.000 1.179 76 I CA 1.406 62.741 61.300 0.060 0.000 1.440 76 I CB -0.633 37.422 38.000 0.092 0.000 1.087 76 I HN 0.340 nan 8.210 nan 0.000 0.440 77 S N 0.249 115.961 115.700 0.020 0.000 2.560 77 S HA 0.428 4.898 4.470 -0.000 0.000 0.227 77 S C 0.117 174.716 174.600 -0.001 0.000 1.280 77 S CA -0.728 57.478 58.200 0.010 0.000 1.260 77 S CB -0.284 62.923 63.200 0.011 0.000 1.002 77 S HN 0.295 nan 8.310 nan 0.000 0.509 78 S N 3.859 119.554 115.700 -0.009 0.000 2.508 78 S HA 0.446 4.916 4.470 -0.000 0.000 0.284 78 S C -1.208 173.377 174.600 -0.026 0.000 1.192 78 S CA -1.190 56.999 58.200 -0.019 0.000 1.070 78 S CB 1.440 64.623 63.200 -0.029 0.000 1.004 78 S HN 0.395 nan 8.310 nan 0.000 0.493 79 P HA -0.051 nan 4.420 nan 0.000 0.216 79 P C -0.103 177.161 177.300 -0.060 0.000 1.153 79 P CA 1.234 64.312 63.100 -0.037 0.000 0.848 79 P CB -0.108 31.573 31.700 -0.032 0.000 0.787 80 N N -2.237 116.423 118.700 -0.067 0.000 2.902 80 N HA 0.201 4.941 4.740 -0.000 0.000 0.268 80 N C 0.268 175.732 175.510 -0.077 0.000 1.450 80 N CA -0.956 52.030 53.050 -0.108 0.000 0.819 80 N CB 0.605 39.012 38.487 -0.133 0.000 1.540 80 N HN -0.363 nan 8.380 nan 0.000 0.545 81 K N -0.616 119.735 120.400 -0.082 0.000 2.217 81 K HA -0.017 4.302 4.320 -0.000 0.000 0.202 81 K C 0.601 177.212 176.600 0.019 0.000 1.051 81 K CA 1.082 57.365 56.287 -0.006 0.000 0.952 81 K CB -0.047 32.504 32.500 0.084 0.000 0.736 81 K HN 0.475 nan 8.250 nan 0.000 0.453 82 E N 0.633 120.853 120.200 0.034 0.000 2.051 82 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 82 E C 1.933 178.540 176.600 0.011 0.000 0.991 82 E CA 0.873 57.294 56.400 0.036 0.000 0.799 82 E CB -0.252 29.475 29.700 0.045 0.000 0.748 82 E HN -0.050 nan 8.360 nan 0.000 0.449 83 V N 0.612 120.524 119.914 -0.004 0.000 2.548 83 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 83 V C 2.154 178.240 176.094 -0.013 0.000 1.055 83 V CA 1.200 63.496 62.300 -0.007 0.000 1.065 83 V CB -0.289 31.526 31.823 -0.013 0.000 0.681 83 V HN 0.236 nan 8.190 nan 0.000 0.462 84 L N 0.392 121.599 121.223 -0.028 0.000 2.012 84 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 84 L C 2.332 179.178 176.870 -0.041 0.000 1.073 84 L CA 2.416 57.224 54.840 -0.052 0.000 0.748 84 L CB -0.659 41.355 42.059 -0.076 0.000 0.891 84 L HN 0.325 nan 8.230 nan 0.000 0.431 85 E N -0.731 119.456 120.200 -0.020 0.000 2.077 85 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 85 E C 2.249 178.889 176.600 0.065 0.000 0.989 85 E CA 1.509 57.919 56.400 0.018 0.000 0.800 85 E CB -0.231 29.479 29.700 0.017 0.000 0.746 85 E HN 0.681 nan 8.360 nan 0.000 0.452 86 Q N -0.000 119.821 119.800 0.035 0.000 2.020 86 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 86 Q C 2.134 178.148 176.000 0.024 0.000 0.982 86 Q CA 1.593 57.414 55.803 0.029 0.000 0.838 86 Q CB -0.019 28.729 28.738 0.016 0.000 0.899 86 Q HN 0.137 nan 8.270 nan 0.000 0.423 87 R N -0.916 119.593 120.500 0.015 0.000 2.148 87 R HA -0.139 4.201 4.340 -0.000 0.000 0.223 87 R C 2.134 178.437 176.300 0.004 0.000 1.088 87 R CA 1.149 57.250 56.100 0.002 0.000 0.985 87 R CB -0.262 30.035 30.300 -0.006 0.000 0.880 87 R HN 0.380 nan 8.270 nan 0.000 0.451 88 Y N 1.003 121.225 120.300 -0.130 0.000 2.133 88 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 88 Y C 2.047 177.887 175.900 -0.100 0.000 1.134 88 Y CA 1.347 59.339 58.100 -0.179 0.000 1.133 88 Y CB -0.430 37.884 38.460 -0.243 0.000 0.987 88 Y HN -0.261 nan 8.280 nan 0.000 0.502 89 V N 0.518 120.387 119.914 -0.076 0.000 2.332 89 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 89 V C 2.345 178.361 176.094 -0.131 0.000 1.055 89 V CA 2.342 64.561 62.300 -0.135 0.000 1.038 89 V CB -0.812 31.011 31.823 -0.000 0.000 0.651 89 V HN 0.395 nan 8.190 nan 0.000 0.450 90 Q N 0.104 119.860 119.800 -0.073 0.000 2.083 90 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 90 Q C 1.947 177.908 176.000 -0.066 0.000 0.969 90 Q CA 1.758 57.530 55.803 -0.051 0.000 0.838 90 Q CB -0.159 28.565 28.738 -0.023 0.000 0.900 90 Q HN 0.654 nan 8.270 nan 0.000 0.436 91 N N -1.474 117.178 118.700 -0.080 0.000 2.368 91 N HA 0.051 4.791 4.740 -0.000 0.000 0.178 91 N C 0.940 176.403 175.510 -0.078 0.000 1.076 91 N CA 0.783 53.798 53.050 -0.058 0.000 0.889 91 N CB 1.048 39.521 38.487 -0.023 0.000 1.040 91 N HN 0.106 nan 8.380 nan 0.000 0.463 92 V N 0.689 120.495 119.914 -0.180 0.000 3.013 92 V HA 0.121 4.241 4.120 -0.000 0.000 0.238 92 V C 2.008 177.945 176.094 -0.261 0.000 1.161 92 V CA 0.307 62.485 62.300 -0.204 0.000 1.170 92 V CB 0.451 32.103 31.823 -0.284 0.000 0.917 92 V HN 0.040 nan 8.190 nan 0.000 0.478 93 I N 0.064 120.410 120.570 -0.373 0.000 2.296 93 I HA -0.044 4.126 4.170 -0.000 0.000 0.242 93 I C 2.527 178.540 176.117 -0.172 0.000 1.087 93 I CA 1.275 62.399 61.300 -0.294 0.000 1.393 93 I CB -0.730 37.071 38.000 -0.332 0.000 1.093 93 I HN 0.159 nan 8.210 nan 0.000 0.421 94 I N 1.895 122.387 120.570 -0.129 0.000 2.091 94 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 94 I C -0.143 175.934 176.117 -0.066 0.000 1.046 94 I CA 2.265 63.522 61.300 -0.073 0.000 1.306 94 I CB -2.761 35.210 38.000 -0.047 0.000 1.018 94 I HN 0.127 nan 8.210 nan 0.000 0.404 95 P HA -0.134 nan 4.420 nan 0.000 0.220 95 P C 1.898 179.168 177.300 -0.051 0.000 1.144 95 P CA 1.086 64.158 63.100 -0.047 0.000 0.800 95 P CB 0.056 31.732 31.700 -0.040 0.000 0.772 96 L N -2.396 118.783 121.223 -0.074 0.000 2.354 96 L HA 0.119 4.459 4.340 -0.000 0.000 0.212 96 L C 1.922 178.738 176.870 -0.090 0.000 1.091 96 L CA 1.262 56.056 54.840 -0.077 0.000 0.828 96 L CB -0.660 41.344 42.059 -0.091 0.000 0.973 96 L HN 0.074 nan 8.230 nan 0.000 0.461 97 L N -1.542 119.618 121.223 -0.106 0.000 2.685 97 L HA 0.366 4.706 4.340 -0.000 0.000 0.235 97 L C 0.447 177.310 176.870 -0.011 0.000 1.070 97 L CA 0.410 55.178 54.840 -0.120 0.000 0.888 97 L CB 0.806 42.693 42.059 -0.286 0.000 1.203 97 L HN 0.290 nan 8.230 nan 0.000 0.499 98 G N 0.513 109.306 108.800 -0.012 0.000 2.911 98 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 98 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 98 G C -2.464 172.440 174.900 0.008 0.000 1.136 98 G CA -0.401 44.700 45.100 0.002 0.000 0.764 98 G HN -0.072 nan 8.290 nan 0.000 0.626 99 P HA 0.017 nan 4.420 nan 0.000 0.241 99 P C 1.362 178.646 177.300 -0.027 0.000 1.191 99 P CA 0.681 63.778 63.100 -0.006 0.000 0.771 99 P CB 0.279 31.970 31.700 -0.016 0.000 0.929 100 K N -0.303 120.023 120.400 -0.123 0.000 2.097 100 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 100 K C 1.344 177.735 176.600 -0.349 0.000 1.050 100 K CA 1.067 57.181 56.287 -0.289 0.000 0.938 100 K CB -0.048 32.151 32.500 -0.501 0.000 0.718 100 K HN 0.208 nan 8.250 nan 0.000 0.442 101 H N -1.072 117.997 119.070 -0.001 0.000 2.755 101 H HA 0.217 4.773 4.556 -0.000 0.000 0.273 101 H C -0.663 174.790 175.328 0.208 0.000 1.055 101 H CA -0.007 56.000 56.048 -0.069 0.000 1.191 101 H CB 0.827 30.610 29.762 0.035 0.000 1.536 101 H HN -0.124 nan 8.280 nan 0.000 0.529 102 V N 2.250 122.349 119.914 0.308 0.000 2.531 102 V HA 0.197 4.317 4.120 -0.000 0.000 0.301 102 V C -0.607 175.610 176.094 0.206 0.000 1.034 102 V CA -1.034 61.435 62.300 0.281 0.000 0.865 102 V CB 2.271 34.205 31.823 0.185 0.000 0.995 102 V HN 0.323 nan 8.190 nan 0.000 0.424 103 D N 3.317 123.837 120.400 0.200 0.000 2.498 103 D HA 0.678 5.318 4.640 -0.000 0.000 0.247 103 D C 0.552 176.905 176.300 0.088 0.000 1.070 103 D CA -0.274 53.804 54.000 0.129 0.000 0.842 103 D CB 2.372 43.253 40.800 0.135 0.000 1.361 103 D HN 0.519 nan 8.370 nan 0.000 0.484 104 A N 2.739 125.594 122.820 0.058 0.000 2.123 104 A HA 0.559 4.879 4.320 -0.000 0.000 0.214 104 A C 1.352 178.961 177.584 0.042 0.000 1.152 104 A CA 0.495 52.557 52.037 0.043 0.000 0.728 104 A CB -1.043 17.972 19.000 0.025 0.000 0.814 104 A HN 1.544 nan 8.150 nan 0.000 0.464 105 G N -1.148 107.679 108.800 0.044 0.000 2.862 105 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 105 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 105 G C -0.479 174.440 174.900 0.031 0.000 1.134 105 G CA -0.465 44.660 45.100 0.042 0.000 0.791 105 G HN 0.912 nan 8.290 nan 0.000 0.592 106 V N 3.528 123.461 119.914 0.031 0.000 2.614 106 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 106 V C 1.399 177.510 176.094 0.028 0.000 1.049 106 V CA -0.167 62.146 62.300 0.022 0.000 1.038 106 V CB 1.381 33.212 31.823 0.014 0.000 0.980 106 V HN 0.932 nan 8.190 nan 0.000 0.481 107 R N 2.703 123.214 120.500 0.019 0.000 2.615 107 R HA 0.636 4.976 4.340 -0.000 0.000 0.270 107 R C -1.089 175.224 176.300 0.021 0.000 1.081 107 R CA -0.224 55.886 56.100 0.016 0.000 1.154 107 R CB 1.281 31.586 30.300 0.008 0.000 1.063 107 R HN 0.533 nan 8.270 nan 0.000 0.519 108 V N 2.027 121.950 119.914 0.014 0.000 2.932 108 V HA 0.234 4.354 4.120 -0.000 0.000 0.307 108 V C -1.044 175.037 176.094 -0.021 0.000 1.147 108 V CA -0.588 61.719 62.300 0.012 0.000 0.951 108 V CB 2.710 34.563 31.823 0.050 0.000 1.031 108 V HN 0.954 nan 8.190 nan 0.000 0.426 109 S N 4.271 119.955 115.700 -0.025 0.000 2.549 109 S HA 0.584 5.054 4.470 -0.000 0.000 0.279 109 S C -0.331 174.216 174.600 -0.089 0.000 1.321 109 S CA -0.298 57.880 58.200 -0.037 0.000 1.054 109 S CB 1.124 64.309 63.200 -0.025 0.000 0.899 109 S HN 1.154 nan 8.310 nan 0.000 0.497 110 V N 0.440 120.313 119.914 -0.069 0.000 2.789 110 V HA 0.853 4.973 4.120 -0.000 0.000 0.311 110 V C 0.031 176.127 176.094 0.003 0.000 1.073 110 V CA -1.115 61.124 62.300 -0.102 0.000 0.921 110 V CB 1.609 33.410 31.823 -0.036 0.000 1.009 110 V HN 0.842 nan 8.190 nan 0.000 0.426 111 S N 2.275 117.993 115.700 0.031 0.000 2.632 111 S HA 0.396 4.866 4.470 -0.000 0.000 0.271 111 S C 0.819 175.500 174.600 0.135 0.000 1.260 111 S CA -0.029 58.219 58.200 0.080 0.000 1.010 111 S CB 1.503 64.748 63.200 0.075 0.000 0.965 111 S HN 0.980 nan 8.310 nan 0.000 0.534 112 K N 0.683 121.137 120.400 0.089 0.000 2.057 112 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 112 K C 1.606 178.249 176.600 0.071 0.000 1.049 112 K CA 1.803 58.134 56.287 0.073 0.000 0.931 112 K CB -0.252 32.277 32.500 0.048 0.000 0.714 112 K HN 0.726 nan 8.250 nan 0.000 0.440 113 E N 0.006 120.255 120.200 0.082 0.000 2.077 113 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 113 E C 1.544 178.198 176.600 0.090 0.000 0.989 113 E CA 1.173 57.616 56.400 0.071 0.000 0.800 113 E CB -0.317 29.426 29.700 0.073 0.000 0.746 113 E HN 0.325 nan 8.360 nan 0.000 0.452 114 F N 0.946 120.892 119.950 -0.006 0.000 2.069 114 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 114 F C 1.735 177.516 175.800 -0.033 0.000 1.113 114 F CA 1.467 59.458 58.000 -0.015 0.000 1.214 114 F CB -0.279 38.705 39.000 -0.026 0.000 0.978 114 F HN -0.043 nan 8.300 nan 0.000 0.474 115 L N 0.110 121.312 121.223 -0.036 0.000 2.017 115 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 115 L C 2.455 179.221 176.870 -0.174 0.000 1.073 115 L CA 1.919 56.667 54.840 -0.154 0.000 0.745 115 L CB -0.939 41.119 42.059 -0.001 0.000 0.894 115 L HN 0.180 nan 8.230 nan 0.000 0.432 116 E N -0.910 119.236 120.200 -0.089 0.000 2.118 116 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 116 E C 2.316 178.854 176.600 -0.102 0.000 0.992 116 E CA 1.462 57.816 56.400 -0.076 0.000 0.804 116 E CB -0.212 29.468 29.700 -0.034 0.000 0.741 116 E HN 0.496 nan 8.360 nan 0.000 0.458 117 C N -0.053 119.170 119.300 -0.128 0.000 2.466 117 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 117 C C 2.683 177.562 174.990 -0.185 0.000 1.288 117 C CA 0.366 59.307 59.018 -0.129 0.000 1.722 117 C CB -0.609 27.071 27.740 -0.100 0.000 2.017 117 C HN 0.231 nan 8.230 nan 0.000 0.488 118 V N 0.692 120.410 119.914 -0.327 0.000 2.295 118 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 118 V C 2.175 178.160 176.094 -0.182 0.000 1.049 118 V CA 2.613 64.721 62.300 -0.320 0.000 1.024 118 V CB -0.751 30.744 31.823 -0.548 0.000 0.648 118 V HN 0.547 nan 8.190 nan 0.000 0.447 119 D N -0.142 120.159 120.400 -0.166 0.000 2.116 119 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 119 D C 2.255 178.497 176.300 -0.096 0.000 0.998 119 D CA 1.742 55.673 54.000 -0.114 0.000 0.836 119 D CB -0.132 40.608 40.800 -0.099 0.000 0.951 119 D HN 0.348 nan 8.370 nan 0.000 0.449 120 K N 0.114 120.460 120.400 -0.090 0.000 2.103 120 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 120 K C 2.104 178.662 176.600 -0.070 0.000 1.052 120 K CA 0.754 56.997 56.287 -0.072 0.000 0.945 120 K CB -0.002 32.463 32.500 -0.059 0.000 0.722 120 K HN -0.049 nan 8.250 nan 0.000 0.443 121 K N 0.900 121.257 120.400 -0.073 0.000 2.103 121 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 121 K C 1.724 178.290 176.600 -0.057 0.000 1.048 121 K CA 1.844 58.097 56.287 -0.056 0.000 0.930 121 K CB 0.056 32.526 32.500 -0.051 0.000 0.716 121 K HN 0.223 nan 8.250 nan 0.000 0.444 122 V N -2.710 117.161 119.914 -0.071 0.000 3.590 122 V HA 0.035 4.155 4.120 -0.000 0.000 0.265 122 V C 1.691 177.678 176.094 -0.179 0.000 1.239 122 V CA 0.876 63.117 62.300 -0.099 0.000 1.117 122 V CB -0.184 31.618 31.823 -0.035 0.000 0.818 122 V HN 0.078 nan 8.190 nan 0.000 0.451 123 T N 0.670 115.142 114.554 -0.136 0.000 2.714 123 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 123 T C 1.755 176.359 174.700 -0.159 0.000 1.036 123 T CA 2.546 64.561 62.100 -0.141 0.000 1.148 123 T CB -0.351 68.459 68.868 -0.098 0.000 0.856 123 T HN 0.592 nan 8.240 nan 0.000 0.462 124 K N 0.410 120.728 120.400 -0.137 0.000 2.211 124 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 124 K C 2.050 178.553 176.600 -0.162 0.000 1.050 124 K CA 0.971 57.185 56.287 -0.121 0.000 0.945 124 K CB 0.034 32.485 32.500 -0.082 0.000 0.732 124 K HN 0.401 nan 8.250 nan 0.000 0.451 125 Q N -0.262 119.386 119.800 -0.252 0.000 2.360 125 Q HA 0.088 4.428 4.340 -0.000 0.000 0.202 125 Q C -0.285 175.395 176.000 -0.534 0.000 0.915 125 Q CA 0.030 55.631 55.803 -0.337 0.000 0.943 125 Q CB 0.719 29.245 28.738 -0.353 0.000 1.064 125 Q HN 0.045 nan 8.270 nan 0.000 0.511 126 R N 1.294 121.509 120.500 -0.475 0.000 2.457 126 R HA 0.303 4.643 4.340 -0.000 0.000 0.284 126 R C -2.458 173.682 176.300 -0.267 0.000 1.024 126 R CA -2.025 53.809 56.100 -0.442 0.000 1.025 126 R CB 0.360 30.444 30.300 -0.360 0.000 1.063 126 R HN -0.101 nan 8.270 nan 0.000 0.493 127 P HA -0.015 nan 4.420 nan 0.000 0.268 127 P C 0.259 177.396 177.300 -0.271 0.000 1.204 127 P CA 0.010 62.958 63.100 -0.253 0.000 0.768 127 P CB 0.547 31.967 31.700 -0.468 0.000 0.842 128 L N 3.253 124.418 121.223 -0.096 0.000 2.012 128 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 128 L C 2.335 179.199 176.870 -0.009 0.000 1.073 128 L CA 1.725 56.544 54.840 -0.036 0.000 0.748 128 L CB -1.298 40.785 42.059 0.040 0.000 0.891 128 L HN 0.633 nan 8.230 nan 0.000 0.431 129 W N -0.303 120.996 121.300 -0.001 0.000 2.364 129 W HA -0.144 4.516 4.660 -0.000 0.000 0.281 129 W C 1.929 178.452 176.519 0.008 0.000 1.219 129 W CA 0.493 57.841 57.345 0.005 0.000 1.220 129 W CB -0.930 28.538 29.460 0.012 0.000 1.127 129 W HN 0.089 nan 8.180 nan 0.000 0.556 130 R N 1.254 121.338 120.500 -0.694 0.000 2.075 130 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 130 R C 2.405 178.554 176.300 -0.251 0.000 1.126 130 R CA 1.553 57.277 56.100 -0.626 0.000 0.963 130 R CB -1.229 28.624 30.300 -0.744 0.000 0.858 130 R HN 0.228 nan 8.270 nan 0.000 0.435 131 V N 2.255 122.049 119.914 -0.201 0.000 2.343 131 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 131 V C 1.871 177.931 176.094 -0.056 0.000 1.051 131 V CA 1.669 63.899 62.300 -0.116 0.000 1.036 131 V CB -0.598 31.161 31.823 -0.106 0.000 0.654 131 V HN 0.259 nan 8.190 nan 0.000 0.451 132 N N 0.681 119.371 118.700 -0.018 0.000 2.137 132 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 132 N C 1.761 177.289 175.510 0.031 0.000 1.017 132 N CA 1.774 54.840 53.050 0.026 0.000 0.859 132 N CB -0.415 38.119 38.487 0.078 0.000 1.002 132 N HN 0.538 nan 8.380 nan 0.000 0.428 133 A N -0.702 122.138 122.820 0.032 0.000 1.935 133 A HA 0.580 4.900 4.320 -0.000 0.000 0.214 133 A C 0.795 178.385 177.584 0.009 0.000 1.178 133 A CA 1.129 53.193 52.037 0.045 0.000 0.640 133 A CB 0.083 19.139 19.000 0.092 0.000 0.825 133 A HN 0.326 nan 8.150 nan 0.000 0.447 134 A N -1.040 121.766 122.820 -0.023 0.000 2.597 134 A HA 0.596 4.916 4.320 -0.000 0.000 0.292 134 A C -1.446 176.106 177.584 -0.053 0.000 1.057 134 A CA -0.825 51.192 52.037 -0.033 0.000 0.674 134 A CB 0.654 19.636 19.000 -0.031 0.000 1.278 134 A HN 0.210 nan 8.150 nan 0.000 0.416 135 N N -0.578 118.090 118.700 -0.053 0.000 2.890 135 N HA 0.600 5.340 4.740 -0.000 0.000 0.317 135 N C -0.130 175.335 175.510 -0.074 0.000 1.355 135 N CA -0.186 52.826 53.050 -0.064 0.000 0.803 135 N CB 0.694 39.146 38.487 -0.059 0.000 1.465 135 N HN 1.068 nan 8.380 nan 0.000 0.591 136 V N -1.370 118.495 119.914 -0.082 0.000 2.673 136 V HA 0.106 4.226 4.120 -0.000 0.000 0.303 136 V C 0.334 176.364 176.094 -0.107 0.000 1.046 136 V CA -0.339 61.900 62.300 -0.102 0.000 1.126 136 V CB 0.108 31.869 31.823 -0.103 0.000 0.934 136 V HN 0.494 nan 8.190 nan 0.000 0.487 137 D N 4.165 124.466 120.400 -0.166 0.000 2.348 137 D HA 0.091 4.731 4.640 -0.000 0.000 0.259 137 D C 1.493 177.733 176.300 -0.099 0.000 1.296 137 D CA 0.655 54.549 54.000 -0.176 0.000 0.931 137 D CB 1.191 41.741 40.800 -0.416 0.000 1.067 137 D HN 0.972 nan 8.370 nan 0.000 0.503 138 T N -0.651 113.886 114.554 -0.028 0.000 3.148 138 T HA -0.097 4.253 4.350 -0.000 0.000 0.253 138 T C 1.741 176.475 174.700 0.058 0.000 1.134 138 T CA 0.637 62.743 62.100 0.010 0.000 1.051 138 T CB -0.042 68.825 68.868 -0.001 0.000 0.959 138 T HN 0.236 nan 8.240 nan 0.000 0.525 139 S N 0.311 116.069 115.700 0.096 0.000 2.436 139 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 139 S C 0.796 175.502 174.600 0.177 0.000 1.014 139 S CA -0.411 57.865 58.200 0.127 0.000 0.950 139 S CB -0.875 62.402 63.200 0.128 0.000 0.784 139 S HN 0.725 nan 8.310 nan 0.000 0.504 140 H N 2.234 121.305 119.070 0.002 0.000 2.815 140 H HA 0.104 4.660 4.556 0.000 0.000 0.350 140 H C 0.329 175.660 175.328 0.006 0.000 1.080 140 H CA 0.523 56.571 56.048 0.001 0.000 1.433 140 H CB 0.852 30.612 29.762 -0.004 0.000 1.432 140 H HN 0.551 nan 8.280 nan 0.000 0.592 141 D N 0.490 120.937 120.400 0.078 0.000 2.360 141 D HA 0.038 4.678 4.640 -0.000 0.000 0.210 141 D C 0.235 176.557 176.300 0.036 0.000 1.047 141 D CA -0.064 53.962 54.000 0.043 0.000 0.854 141 D CB 0.468 41.272 40.800 0.007 0.000 0.936 141 D HN 0.057 nan 8.370 nan 0.000 0.514 142 S N -1.074 114.663 115.700 0.061 0.000 2.638 142 S HA 0.894 5.364 4.470 -0.000 0.000 0.302 142 S C -0.875 173.758 174.600 0.055 0.000 1.096 142 S CA -0.299 57.925 58.200 0.040 0.000 0.953 142 S CB 1.832 65.046 63.200 0.024 0.000 1.107 142 S HN 0.440 nan 8.310 nan 0.000 0.503 143 A N 0.994 123.822 122.820 0.013 0.000 2.581 143 A HA 0.804 5.124 4.320 -0.000 0.000 0.290 143 A C -2.148 175.426 177.584 -0.017 0.000 1.119 143 A CA -0.599 51.432 52.037 -0.010 0.000 0.670 143 A CB 0.787 19.756 19.000 -0.052 0.000 1.280 143 A HN 0.646 nan 8.150 nan 0.000 0.425 144 L N 0.633 121.839 121.223 -0.027 0.000 2.341 144 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 144 L C -1.344 175.524 176.870 -0.003 0.000 1.005 144 L CA -0.640 54.198 54.840 -0.004 0.000 0.818 144 L CB 1.772 43.836 42.059 0.008 0.000 1.259 144 L HN 0.591 nan 8.230 nan 0.000 0.418 145 I N 4.307 124.904 120.570 0.044 0.000 2.312 145 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 145 I C -0.169 176.002 176.117 0.091 0.000 1.008 145 I CA 0.273 61.636 61.300 0.104 0.000 1.226 145 I CB 1.113 39.238 38.000 0.208 0.000 1.371 145 I HN 0.349 nan 8.210 nan 0.000 0.468 146 L N 5.379 126.660 121.223 0.098 0.000 2.298 146 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 146 L C 0.101 177.036 176.870 0.108 0.000 1.010 146 L CA -0.975 53.923 54.840 0.096 0.000 0.812 146 L CB 0.937 43.047 42.059 0.084 0.000 1.331 146 L HN 0.434 nan 8.230 nan 0.000 0.450 147 N N -0.300 118.462 118.700 0.103 0.000 2.503 147 N HA 0.122 4.862 4.740 -0.000 0.000 0.267 147 N C -0.945 174.616 175.510 0.086 0.000 1.214 147 N CA -0.410 52.638 53.050 -0.004 0.000 0.959 147 N CB 0.522 38.849 38.487 -0.266 0.000 1.142 147 N HN 0.460 nan 8.380 nan 0.000 0.455 148 D N 0.444 120.840 120.400 -0.006 0.000 2.468 148 D HA 0.044 4.684 4.640 -0.000 0.000 0.218 148 D C 0.100 176.374 176.300 -0.044 0.000 1.155 148 D CA -0.168 53.841 54.000 0.016 0.000 0.924 148 D CB -0.111 40.695 40.800 0.009 0.000 1.029 148 D HN 0.573 nan 8.370 nan 0.000 0.515 149 H N 1.308 120.289 119.070 -0.148 0.000 2.562 149 H HA -0.027 4.529 4.556 -0.000 0.000 0.272 149 H C 1.488 176.769 175.328 -0.079 0.000 1.019 149 H CA 0.431 56.395 56.048 -0.139 0.000 1.160 149 H CB 0.329 29.981 29.762 -0.183 0.000 1.334 149 H HN 0.334 nan 8.280 nan 0.000 0.611 150 S N 0.517 116.198 115.700 -0.031 0.000 2.558 150 S HA 0.004 4.474 4.470 -0.000 0.000 0.217 150 S C 0.662 175.295 174.600 0.054 0.000 0.975 150 S CA -0.356 57.823 58.200 -0.034 0.000 0.912 150 S CB -0.157 62.894 63.200 -0.248 0.000 0.776 150 S HN 0.210 nan 8.310 nan 0.000 0.526 151 L N 0.349 121.597 121.223 0.042 0.000 2.313 151 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 151 L C 0.599 177.531 176.870 0.103 0.000 1.013 151 L CA -0.997 53.894 54.840 0.085 0.000 0.816 151 L CB 0.918 43.002 42.059 0.042 0.000 1.236 151 L HN 0.028 nan 8.230 nan 0.000 0.419 152 F N 2.882 122.849 119.950 0.029 0.000 1.990 152 F HA -0.084 4.443 4.527 0.000 0.000 0.297 152 F C 1.450 177.241 175.800 -0.014 0.000 1.199 152 F CA 1.646 59.671 58.000 0.042 0.000 1.184 152 F CB -0.227 38.831 39.000 0.097 0.000 0.956 152 F HN 0.707 nan 8.300 nan 0.000 0.503 153 S N -0.506 115.201 115.700 0.012 0.000 2.767 153 S HA 0.433 4.903 4.470 -0.000 0.000 0.300 153 S C -0.613 173.951 174.600 -0.059 0.000 1.123 153 S CA -0.906 57.221 58.200 -0.121 0.000 0.992 153 S CB 1.334 64.525 63.200 -0.014 0.000 1.138 153 S HN 0.259 nan 8.310 nan 0.000 0.550 154 Q N 0.529 120.284 119.800 -0.075 0.000 2.295 154 Q HA 0.598 4.938 4.340 -0.000 0.000 0.259 154 Q C 0.449 176.435 176.000 -0.025 0.000 0.976 154 Q CA 1.536 57.300 55.803 -0.064 0.000 0.923 154 Q CB 0.235 28.926 28.738 -0.078 0.000 1.185 154 Q HN 1.286 nan 8.270 nan 0.000 0.410 159 G N 0.186 109.037 108.800 0.086 0.000 4.917 159 G HA2 0.671 4.631 3.960 -0.000 0.000 0.244 159 G HA3 0.671 4.631 3.960 -0.000 0.000 0.244 159 G C 0.774 175.713 174.900 0.066 0.000 1.072 159 G CA 0.626 45.769 45.100 0.071 0.000 0.850 159 G HN 2.043 nan 8.290 nan 0.000 0.559 160 G N 0.554 109.399 108.800 0.074 0.000 2.829 160 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.628 160 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.628 160 G C -0.355 174.626 174.900 0.136 0.000 1.412 160 G CA -0.542 44.614 45.100 0.093 0.000 0.864 160 G HN 0.345 nan 8.290 nan 0.000 0.544 161 D N -1.303 119.201 120.400 0.173 0.000 2.474 161 D HA 0.303 4.943 4.640 -0.000 0.000 0.232 161 D C 0.407 176.863 176.300 0.261 0.000 1.177 161 D CA 1.104 55.222 54.000 0.197 0.000 0.876 161 D CB 1.048 41.986 40.800 0.230 0.000 1.208 161 D HN 0.886 nan 8.370 nan 0.000 0.464 162 C N 4.006 123.387 119.300 0.136 0.000 2.432 162 C HA 0.401 4.861 4.460 -0.000 0.000 0.334 162 C C -0.790 174.166 174.990 -0.057 0.000 1.155 162 C CA -0.841 58.258 59.018 0.136 0.000 1.335 162 C CB -0.356 27.505 27.740 0.202 0.000 1.964 162 C HN 0.365 nan 8.230 nan 0.000 0.444 163 I N 5.894 126.281 120.570 -0.304 0.000 2.365 163 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 163 I C 0.587 176.836 176.117 0.219 0.000 1.004 163 I CA 0.619 61.774 61.300 -0.242 0.000 1.311 163 I CB 1.638 39.233 38.000 -0.674 0.000 1.401 163 I HN 0.884 nan 8.210 nan 0.000 0.491 164 S N 5.771 121.637 115.700 0.277 0.000 2.548 164 S HA 0.810 5.280 4.470 -0.000 0.000 0.286 164 S C -0.895 173.917 174.600 0.354 0.000 1.098 164 S CA -0.717 57.696 58.200 0.355 0.000 0.930 164 S CB 2.304 65.665 63.200 0.267 0.000 1.070 164 S HN 0.224 nan 8.310 nan 0.000 0.480 165 V N 1.667 121.748 119.914 0.278 0.000 2.540 165 V HA 0.573 4.693 4.120 -0.000 0.000 0.302 165 V C -0.352 175.732 176.094 -0.015 0.000 1.035 165 V CA -0.552 61.793 62.300 0.074 0.000 0.873 165 V CB 1.579 33.437 31.823 0.057 0.000 0.992 165 V HN 1.021 nan 8.190 nan 0.000 0.428 166 E N 4.439 124.573 120.200 -0.109 0.000 2.145 166 E HA 0.562 4.912 4.350 -0.000 0.000 0.262 166 E C -1.430 175.069 176.600 -0.168 0.000 0.883 166 E CA -0.490 55.875 56.400 -0.057 0.000 0.748 166 E CB 1.306 31.073 29.700 0.112 0.000 1.140 166 E HN 0.643 nan 8.360 nan 0.000 0.417 167 I N 4.035 124.533 120.570 -0.121 0.000 2.377 167 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 167 I C 0.148 176.251 176.117 -0.023 0.000 0.987 167 I CA -0.667 60.580 61.300 -0.087 0.000 1.185 167 I CB 1.633 39.589 38.000 -0.073 0.000 1.341 167 I HN 0.264 nan 8.210 nan 0.000 0.455 168 K N 8.298 128.695 120.400 -0.004 0.000 2.356 168 K HA 0.344 4.664 4.320 -0.000 0.000 0.243 168 K C -1.817 174.818 176.600 0.058 0.000 1.072 168 K CA -1.666 54.654 56.287 0.057 0.000 1.014 168 K CB 0.964 33.517 32.500 0.088 0.000 1.523 168 K HN 0.290 nan 8.250 nan 0.000 0.455 169 P HA -0.160 nan 4.420 nan 0.000 0.223 169 P C -0.519 176.988 177.300 0.345 0.000 1.151 169 P CA 0.630 63.853 63.100 0.204 0.000 0.787 169 P CB 0.261 32.099 31.700 0.230 0.000 0.788 170 K N -1.806 118.756 120.400 0.271 0.000 1.550 170 K HA -0.203 4.117 4.320 -0.000 0.000 0.655 170 K C 0.196 176.899 176.600 0.172 0.000 1.846 170 K CA 0.726 57.141 56.287 0.214 0.000 1.076 170 K CB -2.350 30.299 32.500 0.250 0.000 1.876 170 K HN 0.271 nan 8.250 nan 0.000 0.594 171 C N 1.198 120.518 119.300 0.034 0.000 2.499 171 C HA 0.529 4.989 4.460 -0.000 0.000 0.386 171 C C 1.565 176.454 174.990 -0.167 0.000 1.293 171 C CA 0.616 59.549 59.018 -0.142 0.000 1.884 171 C CB -1.190 26.384 27.740 -0.277 0.000 2.509 171 C HN 0.623 nan 8.230 nan 0.000 0.566 172 G N 5.240 113.829 108.800 -0.351 0.000 3.936 172 G HA2 0.453 4.413 3.960 -0.000 0.000 0.296 172 G HA3 0.453 4.413 3.960 -0.000 0.000 0.296 172 G C -0.345 174.517 174.900 -0.063 0.000 1.121 172 G CA -0.206 44.781 45.100 -0.187 0.000 0.899 172 G HN 0.821 nan 8.290 nan 0.000 0.542 173 F N -1.518 118.322 119.950 -0.183 0.000 2.613 173 F HA 0.784 5.311 4.527 -0.000 0.000 0.310 173 F C -1.545 174.211 175.800 -0.074 0.000 1.085 173 F CA -2.017 55.916 58.000 -0.112 0.000 0.945 173 F CB 1.154 40.078 39.000 -0.128 0.000 1.298 173 F HN -0.232 nan 8.300 nan 0.000 0.455 174 L N 4.270 125.542 121.223 0.081 0.000 2.326 174 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 174 L C -1.949 175.007 176.870 0.143 0.000 1.092 174 L CA -2.620 52.218 54.840 -0.004 0.000 0.810 174 L CB 0.108 42.184 42.059 0.028 0.000 1.153 174 L HN 0.547 nan 8.230 nan 0.000 0.439 175 P HA 0.134 nan 4.420 nan 0.000 0.273 175 P C -0.027 177.352 177.300 0.133 0.000 1.250 175 P CA -0.121 63.067 63.100 0.147 0.000 0.793 175 P CB 0.980 32.715 31.700 0.059 0.000 1.011 176 T N -1.928 112.708 114.554 0.136 0.000 3.186 176 T HA 0.074 4.424 4.350 -0.000 0.000 0.292 176 T C 0.574 175.308 174.700 0.057 0.000 0.915 176 T CA -0.018 62.131 62.100 0.081 0.000 0.902 176 T CB -0.242 68.668 68.868 0.071 0.000 1.192 176 T HN 0.497 nan 8.240 nan 0.000 0.563 177 S N 1.179 116.935 115.700 0.094 0.000 2.558 177 S HA 0.068 4.538 4.470 -0.000 0.000 0.291 177 S C 1.572 176.152 174.600 -0.034 0.000 1.306 177 S CA -0.057 58.196 58.200 0.089 0.000 1.056 177 S CB 0.488 63.826 63.200 0.231 0.000 0.836 177 S HN 0.466 nan 8.310 nan 0.000 0.504 178 R N 2.795 123.148 120.500 -0.244 0.000 2.148 178 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 178 R C 1.122 177.193 176.300 -0.381 0.000 1.103 178 R CA 1.471 57.320 56.100 -0.418 0.000 0.983 178 R CB -0.300 29.551 30.300 -0.748 0.000 0.874 178 R HN 0.733 nan 8.270 nan 0.000 0.451 179 F N 0.781 120.757 119.950 0.043 0.000 2.773 179 F HA 0.180 4.707 4.527 -0.000 0.000 0.304 179 F C 0.833 176.685 175.800 0.086 0.000 1.129 179 F CA -0.188 57.845 58.000 0.055 0.000 1.378 179 F CB -0.026 39.010 39.000 0.059 0.000 1.095 179 F HN -0.160 nan 8.300 nan 0.000 0.565 180 I N 0.908 121.581 120.570 0.172 0.000 2.452 180 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 180 I C 1.297 177.476 176.117 0.103 0.000 1.079 180 I CA -0.257 61.123 61.300 0.134 0.000 1.387 180 I CB 0.157 38.211 38.000 0.090 0.000 1.404 180 I HN 0.098 nan 8.210 nan 0.000 0.522 181 G N 4.774 113.645 108.800 0.118 0.000 2.699 181 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.246 181 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.246 181 G C 0.861 175.801 174.900 0.066 0.000 1.219 181 G CA -0.384 44.776 45.100 0.099 0.000 0.866 181 G HN 0.819 nan 8.290 nan 0.000 0.572 182 K N -0.401 120.034 120.400 0.058 0.000 2.026 182 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 182 K C 2.051 178.675 176.600 0.041 0.000 1.048 182 K CA 2.084 58.396 56.287 0.042 0.000 0.929 182 K CB -0.111 32.412 32.500 0.038 0.000 0.713 182 K HN 0.664 nan 8.250 nan 0.000 0.439 183 E N -0.227 120.001 120.200 0.046 0.000 2.299 183 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 183 E C 0.895 177.523 176.600 0.048 0.000 0.998 183 E CA 0.462 56.888 56.400 0.043 0.000 0.851 183 E CB -0.047 29.679 29.700 0.044 0.000 0.795 183 E HN 0.363 nan 8.360 nan 0.000 0.492 184 N N 0.592 119.322 118.700 0.050 0.000 2.322 184 N HA 0.072 4.812 4.740 -0.000 0.000 0.194 184 N C 1.126 176.660 175.510 0.039 0.000 1.126 184 N CA 0.212 53.291 53.050 0.047 0.000 0.845 184 N CB 0.145 38.660 38.487 0.046 0.000 0.976 184 N HN 0.120 nan 8.380 nan 0.000 0.475 185 M N 0.080 119.703 119.600 0.038 0.000 2.706 185 M HA -0.000 4.480 4.480 -0.000 0.000 0.251 185 M C 1.105 177.419 176.300 0.024 0.000 1.070 185 M CA 0.439 55.756 55.300 0.030 0.000 1.073 185 M CB -0.433 32.183 32.600 0.027 0.000 1.449 185 M HN 0.070 nan 8.290 nan 0.000 0.531 186 L N 0.307 121.549 121.223 0.030 0.000 2.478 186 L HA -0.058 4.282 4.340 -0.000 0.000 0.223 186 L C 1.910 178.760 176.870 -0.034 0.000 1.140 186 L CA 1.349 56.204 54.840 0.024 0.000 0.842 186 L CB -0.486 41.625 42.059 0.086 0.000 0.953 186 L HN 0.177 nan 8.230 nan 0.000 0.452 187 K N -1.503 118.877 120.400 -0.034 0.000 2.360 187 K HA -0.086 4.234 4.320 -0.000 0.000 0.201 187 K C 1.731 178.305 176.600 -0.044 0.000 1.046 187 K CA 1.279 57.531 56.287 -0.059 0.000 0.945 187 K CB -0.138 32.343 32.500 -0.032 0.000 0.750 187 K HN 0.294 nan 8.250 nan 0.000 0.464 188 T N 0.593 115.138 114.554 -0.016 0.000 2.904 188 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 188 T C 1.943 176.638 174.700 -0.009 0.000 1.059 188 T CA 1.340 63.439 62.100 -0.002 0.000 1.137 188 T CB 0.095 68.970 68.868 0.011 0.000 0.879 188 T HN 0.193 nan 8.240 nan 0.000 0.467 189 S N 0.259 115.948 115.700 -0.018 0.000 2.412 189 S HA 0.167 4.636 4.470 -0.000 0.000 0.223 189 S C 0.753 175.330 174.600 -0.037 0.000 1.048 189 S CA 0.002 58.194 58.200 -0.013 0.000 0.954 189 S CB 0.257 63.459 63.200 0.004 0.000 0.840 189 S HN 0.198 nan 8.310 nan 0.000 0.503 190 V N 3.808 123.669 119.914 -0.088 0.000 2.427 190 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 190 V C 0.409 176.415 176.094 -0.147 0.000 1.034 190 V CA -1.072 61.148 62.300 -0.134 0.000 0.893 190 V CB 1.305 32.963 31.823 -0.275 0.000 0.982 190 V HN 0.523 nan 8.190 nan 0.000 0.452 191 S N 4.327 119.969 115.700 -0.096 0.000 2.563 191 S HA 0.031 4.501 4.470 -0.000 0.000 0.284 191 S C 1.167 175.716 174.600 -0.085 0.000 1.331 191 S CA 0.124 58.275 58.200 -0.082 0.000 1.047 191 S CB 0.682 63.862 63.200 -0.033 0.000 0.859 191 S HN 0.809 nan 8.310 nan 0.000 0.514 192 R N 1.927 122.375 120.500 -0.088 0.000 2.105 192 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 192 R C 1.825 178.140 176.300 0.025 0.000 1.135 192 R CA 2.044 58.104 56.100 -0.066 0.000 0.967 192 R CB -1.151 29.084 30.300 -0.109 0.000 0.861 192 R HN 0.763 nan 8.270 nan 0.000 0.442 193 F N 1.195 121.106 119.950 -0.065 0.000 2.095 193 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 193 F C 2.176 178.004 175.800 0.047 0.000 1.104 193 F CA 2.272 60.277 58.000 0.008 0.000 1.232 193 F CB -0.252 38.745 39.000 -0.005 0.000 0.987 193 F HN 0.111 nan 8.300 nan 0.000 0.475 194 K N -0.185 120.283 120.400 0.114 0.000 2.057 194 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 194 K C 2.137 178.741 176.600 0.006 0.000 1.050 194 K CA 1.559 57.877 56.287 0.051 0.000 0.935 194 K CB -0.136 32.410 32.500 0.076 0.000 0.715 194 K HN 0.294 nan 8.250 nan 0.000 0.439 195 M N -0.313 119.245 119.600 -0.071 0.000 2.117 195 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 195 M C 2.265 178.619 176.300 0.089 0.000 1.065 195 M CA 1.442 56.711 55.300 -0.051 0.000 1.114 195 M CB -0.583 31.862 32.600 -0.257 0.000 1.361 195 M HN 0.351 nan 8.290 nan 0.000 0.408 196 H N 0.251 119.268 119.070 -0.089 0.000 2.423 196 H HA -0.110 4.446 4.556 -0.000 0.000 0.297 196 H C 1.963 177.202 175.328 -0.149 0.000 1.075 196 H CA 1.187 57.165 56.048 -0.117 0.000 1.342 196 H CB 0.289 29.957 29.762 -0.157 0.000 1.395 196 H HN 0.381 nan 8.280 nan 0.000 0.530 197 Q N 0.575 120.274 119.800 -0.169 0.000 2.124 197 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 197 Q C 2.650 178.603 176.000 -0.079 0.000 0.977 197 Q CA 0.661 56.351 55.803 -0.189 0.000 0.850 197 Q CB -0.134 28.495 28.738 -0.181 0.000 0.901 197 Q HN 0.534 nan 8.270 nan 0.000 0.429 198 L N -0.129 121.117 121.223 0.038 0.000 2.217 198 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 198 L C 2.241 179.148 176.870 0.061 0.000 1.107 198 L CA 0.313 55.250 54.840 0.161 0.000 0.783 198 L CB -0.185 42.089 42.059 0.359 0.000 0.919 198 L HN 0.185 nan 8.230 nan 0.000 0.442 199 L N -0.338 120.800 121.223 -0.140 0.000 2.095 199 L HA -0.124 4.216 4.340 -0.000 0.000 0.204 199 L C 2.445 179.160 176.870 -0.259 0.000 1.080 199 L CA 1.586 56.201 54.840 -0.375 0.000 0.759 199 L CB -0.257 41.528 42.059 -0.457 0.000 0.914 199 L HN 0.029 nan 8.230 nan 0.000 0.439 200 K N -0.765 119.444 120.400 -0.319 0.000 2.032 200 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 200 K C 1.993 178.524 176.600 -0.114 0.000 1.048 200 K CA 1.730 57.879 56.287 -0.230 0.000 0.927 200 K CB -0.545 31.818 32.500 -0.228 0.000 0.712 200 K HN 0.178 nan 8.250 nan 0.000 0.441 201 L N 1.687 122.854 121.223 -0.094 0.000 2.131 201 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 201 L C 2.144 178.982 176.870 -0.053 0.000 1.092 201 L CA 1.787 56.594 54.840 -0.054 0.000 0.759 201 L CB -0.297 41.750 42.059 -0.019 0.000 0.903 201 L HN 0.106 nan 8.230 nan 0.000 0.435 202 E N -1.218 118.939 120.200 -0.072 0.000 2.152 202 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 202 E C 1.265 177.741 176.600 -0.206 0.000 0.983 202 E CA 1.333 57.651 56.400 -0.136 0.000 0.818 202 E CB -0.269 29.239 29.700 -0.321 0.000 0.758 202 E HN 0.654 nan 8.360 nan 0.000 0.467 203 Y N -0.470 119.691 120.300 -0.231 0.000 2.495 203 Y HA 0.229 4.779 4.550 0.000 0.000 0.293 203 Y C -0.105 175.691 175.900 -0.173 0.000 1.186 203 Y CA -0.261 57.719 58.100 -0.200 0.000 1.266 203 Y CB 0.024 38.349 38.460 -0.224 0.000 1.101 203 Y HN -0.094 nan 8.280 nan 0.000 0.517 204 I N 0.477 121.007 120.570 -0.066 0.000 6.822 204 I HA -0.397 3.773 4.170 -0.000 0.000 0.126 204 I C 0.694 176.739 176.117 -0.121 0.000 1.756 204 I CA 0.810 62.059 61.300 -0.086 0.000 2.250 204 I CB -1.043 36.905 38.000 -0.086 0.000 3.407 204 I HN 0.436 nan 8.210 nan 0.000 0.229 205 E N 0.638 120.760 120.200 -0.130 0.000 2.447 205 E HA 0.338 4.688 4.350 -0.000 0.000 0.204 205 E C 0.684 177.182 176.600 -0.170 0.000 0.977 205 E CA 0.547 56.821 56.400 -0.211 0.000 0.950 205 E CB 0.589 30.163 29.700 -0.209 0.000 0.975 205 E HN 0.762 nan 8.360 nan 0.000 0.496 206 I N -3.529 116.977 120.570 -0.107 0.000 2.994 206 I HA 0.346 4.516 4.170 -0.000 0.000 0.306 206 I C 0.487 176.576 176.117 -0.046 0.000 1.195 206 I CA -0.879 60.383 61.300 -0.064 0.000 1.001 206 I CB 2.219 40.193 38.000 -0.044 0.000 1.244 206 I HN -0.350 nan 8.210 nan 0.000 0.437 207 S N 0.639 116.323 115.700 -0.026 0.000 2.439 207 S HA 0.084 4.553 4.470 -0.000 0.000 0.224 207 S C 0.358 174.951 174.600 -0.013 0.000 1.029 207 S CA 0.509 58.697 58.200 -0.020 0.000 0.946 207 S CB -0.308 62.884 63.200 -0.012 0.000 0.797 207 S HN 0.824 nan 8.310 nan 0.000 0.504 208 E N 1.153 121.350 120.200 -0.005 0.000 2.412 208 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 208 E C -1.366 175.242 176.600 0.013 0.000 0.984 208 E CA -0.799 55.603 56.400 0.003 0.000 0.788 208 E CB 0.980 30.684 29.700 0.006 0.000 1.277 208 E HN 0.127 nan 8.360 nan 0.000 0.455 209 E N 0.931 121.144 120.200 0.022 0.000 2.452 209 E HA 0.068 4.418 4.350 -0.000 0.000 0.261 209 E C -0.245 176.395 176.600 0.067 0.000 0.987 209 E CA 0.036 56.458 56.400 0.036 0.000 0.926 209 E CB 0.721 30.448 29.700 0.045 0.000 0.934 209 E HN 0.480 nan 8.360 nan 0.000 0.452 210 S N 2.977 118.741 115.700 0.107 0.000 2.585 210 S HA 0.007 4.477 4.470 -0.000 0.000 0.273 210 S C 0.667 175.391 174.600 0.206 0.000 1.339 210 S CA -0.141 58.172 58.200 0.189 0.000 1.028 210 S CB 0.975 64.387 63.200 0.354 0.000 0.906 210 S HN 0.683 nan 8.310 nan 0.000 0.528 211 E N 1.129 121.439 120.200 0.183 0.000 2.442 211 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 211 E C -0.575 176.140 176.600 0.192 0.000 1.030 211 E CA -0.010 56.479 56.400 0.148 0.000 0.869 211 E CB 0.151 29.905 29.700 0.091 0.000 0.857 211 E HN 0.685 nan 8.360 nan 0.000 0.505 212 Y N 1.493 121.866 120.300 0.121 0.000 2.359 212 Y HA 0.160 4.709 4.550 -0.000 0.000 0.330 212 Y C -0.645 175.283 175.900 0.047 0.000 1.143 212 Y CA -0.673 57.446 58.100 0.031 0.000 1.318 212 Y CB 0.773 39.196 38.460 -0.061 0.000 1.234 212 Y HN -0.249 nan 8.280 nan 0.000 0.522 213 D N 7.963 127.990 120.400 -0.620 0.000 2.473 213 D HA 0.343 4.983 4.640 -0.000 0.000 0.253 213 D C -2.306 173.503 176.300 -0.819 0.000 1.233 213 D CA -2.537 51.120 54.000 -0.572 0.000 0.908 213 D CB 1.993 42.682 40.800 -0.184 0.000 1.170 213 D HN 0.285 nan 8.370 nan 0.000 0.558 214 P HA -0.088 nan 4.420 nan 0.000 0.220 214 P C 1.572 178.887 177.300 0.025 0.000 1.144 214 P CA 0.790 63.623 63.100 -0.444 0.000 0.800 214 P CB 0.262 31.860 31.700 -0.170 0.000 0.772 215 L N -0.748 120.448 121.223 -0.044 0.000 2.131 215 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 215 L C 1.982 178.890 176.870 0.063 0.000 1.092 215 L CA 1.422 56.295 54.840 0.055 0.000 0.759 215 L CB -0.963 41.102 42.059 0.010 0.000 0.903 215 L HN 0.023 nan 8.230 nan 0.000 0.435 216 D N 0.189 120.584 120.400 -0.009 0.000 2.117 216 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 216 D C 2.176 178.492 176.300 0.027 0.000 0.982 216 D CA 1.051 55.055 54.000 0.007 0.000 0.828 216 D CB -0.007 40.783 40.800 -0.017 0.000 0.967 216 D HN 0.161 nan 8.370 nan 0.000 0.464 217 L N -0.019 121.216 121.223 0.019 0.000 2.046 217 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 217 L C 1.759 178.543 176.870 -0.144 0.000 1.077 217 L CA 1.496 56.301 54.840 -0.059 0.000 0.747 217 L CB -0.477 41.541 42.059 -0.068 0.000 0.896 217 L HN -0.104 nan 8.230 nan 0.000 0.432 218 F N -1.125 118.868 119.950 0.072 0.000 2.797 218 F HA 0.048 4.575 4.527 -0.000 0.000 0.302 218 F C 2.511 178.356 175.800 0.075 0.000 1.130 218 F CA 0.635 58.684 58.000 0.080 0.000 1.387 218 F CB -0.707 38.343 39.000 0.084 0.000 1.107 218 F HN 0.207 nan 8.300 nan 0.000 0.577 219 S N -0.318 115.500 115.700 0.195 0.000 2.442 219 S HA 0.011 4.481 4.470 -0.000 0.000 0.236 219 S C 2.136 176.821 174.600 0.141 0.000 1.007 219 S CA 0.915 59.201 58.200 0.143 0.000 0.965 219 S CB -0.705 62.548 63.200 0.088 0.000 0.773 219 S HN 0.567 nan 8.310 nan 0.000 0.504 220 G N 0.411 109.314 108.800 0.171 0.000 2.184 220 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 220 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 220 G C 0.133 175.200 174.900 0.277 0.000 0.975 220 G CA 0.458 45.691 45.100 0.222 0.000 0.642 220 G HN 1.101 nan 8.290 nan 0.000 0.536 221 S N -0.267 115.513 115.700 0.133 0.000 2.457 221 S HA 0.543 5.013 4.470 -0.000 0.000 0.289 221 S C 1.473 175.953 174.600 -0.201 0.000 1.163 221 S CA 0.387 58.589 58.200 0.004 0.000 1.078 221 S CB 1.342 64.539 63.200 -0.005 0.000 0.987 221 S HN 0.374 nan 8.310 nan 0.000 0.482 222 K N 2.501 122.594 120.400 -0.512 0.000 2.032 222 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 222 K C 1.763 178.143 176.600 -0.366 0.000 1.048 222 K CA 1.841 57.638 56.287 -0.816 0.000 0.927 222 K CB -0.115 31.895 32.500 -0.816 0.000 0.712 222 K HN 0.840 nan 8.250 nan 0.000 0.441 223 E N 0.357 120.426 120.200 -0.219 0.000 2.371 223 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 223 E C 1.696 178.245 176.600 -0.086 0.000 1.012 223 E CA 0.724 57.045 56.400 -0.131 0.000 0.860 223 E CB -0.175 29.469 29.700 -0.093 0.000 0.811 223 E HN 0.280 nan 8.360 nan 0.000 0.502 224 R N 0.698 121.153 120.500 -0.076 0.000 2.115 224 R HA 0.040 4.380 4.340 -0.000 0.000 0.226 224 R C 2.413 178.694 176.300 -0.032 0.000 1.100 224 R CA 0.981 57.058 56.100 -0.038 0.000 0.980 224 R CB -0.145 30.145 30.300 -0.015 0.000 0.875 224 R HN 0.033 nan 8.270 nan 0.000 0.445 225 V N 1.330 121.211 119.914 -0.056 0.000 2.358 225 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 225 V C 2.158 178.227 176.094 -0.041 0.000 1.047 225 V CA 1.405 63.683 62.300 -0.037 0.000 1.035 225 V CB -0.392 31.414 31.823 -0.029 0.000 0.658 225 V HN 0.233 nan 8.190 nan 0.000 0.452 226 L N 0.419 121.600 121.223 -0.070 0.000 2.046 226 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 226 L C 2.360 179.205 176.870 -0.042 0.000 1.077 226 L CA 2.289 57.090 54.840 -0.065 0.000 0.747 226 L CB -0.713 41.299 42.059 -0.079 0.000 0.896 226 L HN 0.422 nan 8.230 nan 0.000 0.432 227 E N -0.720 119.462 120.200 -0.029 0.000 2.085 227 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 227 E C 2.131 178.741 176.600 0.016 0.000 0.994 227 E CA 1.295 57.690 56.400 -0.008 0.000 0.801 227 E CB -0.211 29.485 29.700 -0.007 0.000 0.743 227 E HN 0.645 nan 8.360 nan 0.000 0.453 228 A N 1.024 123.864 122.820 0.033 0.000 1.877 228 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 228 A C 2.095 179.709 177.584 0.051 0.000 1.186 228 A CA 1.398 53.501 52.037 0.111 0.000 0.620 228 A CB -0.531 18.553 19.000 0.140 0.000 0.822 228 A HN 0.296 nan 8.150 nan 0.000 0.443 229 I N 0.023 120.585 120.570 -0.013 0.000 2.226 229 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 229 I C 2.229 178.255 176.117 -0.152 0.000 1.100 229 I CA 1.546 62.798 61.300 -0.080 0.000 1.374 229 I CB -1.317 36.655 38.000 -0.046 0.000 1.057 229 I HN 0.372 nan 8.210 nan 0.000 0.413 230 K N 0.937 121.291 120.400 -0.077 0.000 2.057 230 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 230 K C 2.267 178.859 176.600 -0.014 0.000 1.049 230 K CA 1.588 57.849 56.287 -0.043 0.000 0.931 230 K CB -0.185 32.304 32.500 -0.018 0.000 0.714 230 K HN 0.292 nan 8.250 nan 0.000 0.440 231 A N 1.678 124.493 122.820 -0.007 0.000 1.865 231 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 231 A C 2.186 179.733 177.584 -0.061 0.000 1.191 231 A CA 1.379 53.430 52.037 0.023 0.000 0.623 231 A CB -0.819 18.248 19.000 0.112 0.000 0.826 231 A HN 0.169 nan 8.150 nan 0.000 0.444 232 L N -1.964 119.151 121.223 -0.179 0.000 2.021 232 L HA -0.279 4.061 4.340 -0.000 0.000 0.215 232 L C 2.620 179.130 176.870 -0.599 0.000 1.074 232 L CA 2.256 56.846 54.840 -0.417 0.000 0.760 232 L CB -0.753 40.964 42.059 -0.571 0.000 0.889 232 L HN 0.647 nan 8.230 nan 0.000 0.433 233 Y N 0.269 120.070 120.300 -0.831 0.000 2.128 233 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 233 Y C 2.730 178.438 175.900 -0.321 0.000 1.154 233 Y CA 1.935 59.641 58.100 -0.657 0.000 1.149 233 Y CB -0.341 37.838 38.460 -0.469 0.000 0.976 233 Y HN 0.087 nan 8.280 nan 0.000 0.505 234 S N -0.757 114.773 115.700 -0.284 0.000 2.348 234 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 234 S C 0.961 175.421 174.600 -0.232 0.000 1.033 234 S CA 1.685 59.726 58.200 -0.265 0.000 1.010 234 S CB -0.691 62.475 63.200 -0.056 0.000 0.891 234 S HN 0.655 nan 8.310 nan 0.000 0.442 235 T N -0.794 113.676 114.554 -0.140 0.000 3.327 235 T HA 0.452 4.802 4.350 -0.000 0.000 0.373 235 T C -2.669 172.008 174.700 -0.038 0.000 1.589 235 T CA -1.616 60.446 62.100 -0.063 0.000 1.497 235 T CB 1.494 70.375 68.868 0.021 0.000 1.032 235 T HN -0.059 nan 8.240 nan 0.000 0.640 236 P HA -0.116 nan 4.420 nan 0.000 0.218 236 P C 1.229 178.573 177.300 0.074 0.000 1.149 236 P CA 0.927 64.030 63.100 0.005 0.000 0.817 236 P CB 0.090 31.801 31.700 0.018 0.000 0.785 237 Q N -1.068 118.774 119.800 0.069 0.000 2.267 237 Q HA -0.283 4.057 4.340 -0.000 0.000 0.429 237 Q C 0.831 176.904 176.000 0.123 0.000 0.637 237 Q CA 2.002 57.868 55.803 0.104 0.000 0.942 237 Q CB -1.954 26.871 28.738 0.145 0.000 2.719 237 Q HN 0.405 nan 8.270 nan 0.000 0.927 238 N N 0.769 119.563 118.700 0.156 0.000 2.214 238 N HA 0.063 4.803 4.740 -0.000 0.000 0.214 238 N C -0.085 175.507 175.510 0.137 0.000 1.132 238 N CA 0.547 53.691 53.050 0.156 0.000 0.856 238 N CB 0.222 38.822 38.487 0.187 0.000 1.020 238 N HN 0.339 nan 8.380 nan 0.000 0.509 239 N N -0.418 118.354 118.700 0.121 0.000 2.220 239 N HA 0.185 4.925 4.740 -0.000 0.000 0.195 239 N C -1.320 174.235 175.510 0.076 0.000 1.123 239 N CA -0.112 52.971 53.050 0.056 0.000 0.874 239 N CB 0.495 38.948 38.487 -0.057 0.000 0.995 239 N HN 0.108 nan 8.380 nan 0.000 0.498 240 F N 0.832 120.736 119.950 -0.076 0.000 2.588 240 F HA 0.501 5.028 4.527 -0.000 0.000 0.318 240 F C -1.193 174.560 175.800 -0.078 0.000 1.155 240 F CA -0.725 57.226 58.000 -0.082 0.000 0.967 240 F CB 1.379 40.313 39.000 -0.110 0.000 1.236 240 F HN -0.330 nan 8.300 nan 0.000 0.455 241 R N 3.821 124.088 120.500 -0.389 0.000 2.651 241 R HA 0.833 5.173 4.340 -0.000 0.000 0.278 241 R C -1.908 174.096 176.300 -0.493 0.000 1.010 241 R CA -1.068 54.814 56.100 -0.363 0.000 0.896 241 R CB 2.705 32.837 30.300 -0.282 0.000 1.211 241 R HN 0.388 nan 8.270 nan 0.000 0.456 242 V N 3.026 122.662 119.914 -0.463 0.000 2.638 242 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 242 V C -1.086 174.757 176.094 -0.418 0.000 1.052 242 V CA -0.817 61.334 62.300 -0.248 0.000 0.885 242 V CB 1.720 33.559 31.823 0.027 0.000 0.999 242 V HN 0.530 nan 8.190 nan 0.000 0.424 243 F N 3.625 123.590 119.950 0.024 0.000 2.508 243 F HA 0.630 5.157 4.527 -0.000 0.000 0.325 243 F C -0.114 175.668 175.800 -0.030 0.000 1.090 243 F CA -0.736 57.269 58.000 0.009 0.000 0.945 243 F CB 1.876 40.885 39.000 0.016 0.000 1.156 243 F HN 0.234 nan 8.300 nan 0.000 0.463 244 L N 4.346 125.647 121.223 0.130 0.000 2.316 244 L HA 0.395 4.735 4.340 -0.000 0.000 0.280 244 L C -0.452 176.457 176.870 0.066 0.000 1.006 244 L CA -0.413 54.436 54.840 0.016 0.000 0.836 244 L CB 0.652 42.678 42.059 -0.057 0.000 1.221 244 L HN 0.746 nan 8.230 nan 0.000 0.418 245 N N 4.067 122.802 118.700 0.059 0.000 2.721 245 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 245 N C 0.920 176.471 175.510 0.069 0.000 1.072 245 N CA 1.219 54.306 53.050 0.062 0.000 0.710 245 N CB -1.015 37.499 38.487 0.045 0.000 0.993 245 N HN 1.122 nan 8.380 nan 0.000 0.547 246 G N -2.439 106.418 108.800 0.094 0.000 2.234 246 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.235 246 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.235 246 G C 0.022 175.050 174.900 0.213 0.000 0.997 246 G CA 0.351 45.483 45.100 0.055 0.000 0.623 246 G HN 0.519 nan 8.290 nan 0.000 0.514 247 S N 0.960 116.800 115.700 0.234 0.000 2.475 247 S HA 0.582 5.052 4.470 -0.000 0.000 0.281 247 S C 0.135 174.888 174.600 0.254 0.000 1.198 247 S CA -0.502 57.831 58.200 0.222 0.000 1.063 247 S CB 1.917 65.180 63.200 0.105 0.000 0.972 247 S HN 0.847 nan 8.310 nan 0.000 0.486 248 L N 5.144 126.479 121.223 0.187 0.000 2.534 248 L HA 0.219 4.559 4.340 -0.000 0.000 0.271 248 L C 0.551 177.365 176.870 -0.094 0.000 1.178 248 L CA 0.637 55.389 54.840 -0.146 0.000 0.907 248 L CB -0.138 41.859 42.059 -0.103 0.000 1.164 248 L HN 0.785 nan 8.230 nan 0.000 0.482 249 I N 2.677 123.167 120.570 -0.133 0.000 4.327 249 I HA 0.430 4.600 4.170 -0.000 0.000 0.331 249 I C -0.585 175.569 176.117 0.062 0.000 1.348 249 I CA -0.225 61.074 61.300 -0.002 0.000 1.152 249 I CB 0.732 38.749 38.000 0.028 0.000 1.151 249 I HN 0.454 nan 8.210 nan 0.000 0.410 250 L N 1.678 122.854 121.223 -0.078 0.000 2.549 250 L HA 0.858 5.198 4.340 -0.000 0.000 0.259 250 L C -0.417 176.364 176.870 -0.149 0.000 0.934 250 L CA 0.530 55.297 54.840 -0.122 0.000 0.865 250 L CB 1.799 43.689 42.059 -0.282 0.000 1.352 250 L HN 0.423 nan 8.230 nan 0.000 0.410 251 G N 1.956 110.699 108.800 -0.095 0.000 2.662 251 G HA2 0.369 4.329 3.960 -0.000 0.000 0.686 251 G HA3 0.369 4.329 3.960 -0.000 0.000 0.686 251 G C -0.157 174.722 174.900 -0.034 0.000 1.271 251 G CA -0.367 44.700 45.100 -0.054 0.000 0.816 251 G HN 1.305 nan 8.290 nan 0.000 0.608 252 G N -0.775 108.035 108.800 0.017 0.000 2.527 252 G HA2 0.563 4.523 3.960 -0.000 0.000 0.248 252 G HA3 0.563 4.523 3.960 -0.000 0.000 0.248 252 G C 0.520 175.465 174.900 0.074 0.000 1.231 252 G CA 0.922 46.057 45.100 0.059 0.000 0.838 252 G HN 1.662 nan 8.290 nan 0.000 0.570 253 S N 0.292 116.060 115.700 0.113 0.000 2.466 253 S HA 0.481 4.951 4.470 -0.000 0.000 0.313 253 S C 1.160 175.895 174.600 0.225 0.000 1.078 253 S CA 0.509 58.815 58.200 0.177 0.000 1.115 253 S CB -0.287 63.061 63.200 0.247 0.000 1.006 253 S HN 2.056 nan 8.310 nan 0.000 0.487 254 G N 3.585 112.483 108.800 0.163 0.000 2.160 254 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.251 254 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.251 254 G C -0.245 174.708 174.900 0.087 0.000 1.008 254 G CA 0.714 45.895 45.100 0.135 0.000 0.724 254 G HN 0.946 nan 8.290 nan 0.000 0.514 255 E N -1.762 118.540 120.200 0.170 0.000 2.409 255 E HA 0.595 4.945 4.350 -0.000 0.000 0.280 255 E C -0.351 176.414 176.600 0.276 0.000 1.079 255 E CA -0.615 55.982 56.400 0.328 0.000 0.840 255 E CB -0.020 29.931 29.700 0.418 0.000 1.309 255 E HN 0.142 nan 8.360 nan 0.000 0.447 256 S N 0.497 116.379 115.700 0.303 0.000 2.563 256 S HA 0.214 4.684 4.470 -0.000 0.000 0.284 256 S C -0.169 174.516 174.600 0.143 0.000 1.331 256 S CA 0.296 58.604 58.200 0.181 0.000 1.047 256 S CB 0.963 64.237 63.200 0.123 0.000 0.859 256 S HN 0.481 nan 8.310 nan 0.000 0.514 257 T N 0.946 115.555 114.554 0.092 0.000 2.930 257 T HA 0.641 4.991 4.350 -0.000 0.000 0.290 257 T C 0.479 175.196 174.700 0.028 0.000 1.052 257 T CA -0.321 61.814 62.100 0.058 0.000 1.017 257 T CB 0.978 69.867 68.868 0.035 0.000 1.137 257 T HN 0.670 nan 8.240 nan 0.000 0.511 258 G N 1.195 110.003 108.800 0.012 0.000 2.634 258 G HA2 0.372 4.332 3.960 -0.000 0.000 0.255 258 G HA3 0.372 4.332 3.960 -0.000 0.000 0.255 258 G C -0.085 174.795 174.900 -0.034 0.000 1.205 258 G CA -0.579 44.518 45.100 -0.006 0.000 0.884 258 G HN 0.952 nan 8.290 nan 0.000 0.549 259 R N -0.633 119.843 120.500 -0.040 0.000 2.619 259 R HA -0.007 4.333 4.340 -0.000 0.000 0.268 259 R C -0.162 176.072 176.300 -0.110 0.000 0.990 259 R CA 0.369 56.426 56.100 -0.072 0.000 1.092 259 R CB -0.121 30.150 30.300 -0.048 0.000 0.935 259 R HN 0.325 nan 8.270 nan 0.000 0.415 260 T N 4.316 118.752 114.554 -0.198 0.000 2.754 260 T HA 0.043 4.393 4.350 -0.000 0.000 0.282 260 T C 0.172 174.786 174.700 -0.143 0.000 0.923 260 T CA 0.155 62.103 62.100 -0.254 0.000 1.164 260 T CB 0.115 68.636 68.868 -0.578 0.000 0.873 260 T HN 0.690 nan 8.240 nan 0.000 0.537 261 S N 4.241 119.897 115.700 -0.074 0.000 2.645 261 S HA 0.301 4.771 4.470 -0.000 0.000 0.266 261 S C -1.772 172.835 174.600 0.012 0.000 1.258 261 S CA -1.445 56.742 58.200 -0.023 0.000 0.990 261 S CB 0.777 63.973 63.200 -0.007 0.000 0.967 261 S HN 0.236 nan 8.310 nan 0.000 0.556 262 P HA -0.014 nan 4.420 nan 0.000 0.220 262 P C 0.895 178.258 177.300 0.106 0.000 1.148 262 P CA 0.982 64.122 63.100 0.067 0.000 0.803 262 P CB 0.034 31.758 31.700 0.040 0.000 0.782 263 E N -0.609 119.641 120.200 0.083 0.000 2.028 263 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 263 E C 1.985 178.674 176.600 0.147 0.000 0.988 263 E CA 1.032 57.501 56.400 0.116 0.000 0.799 263 E CB -0.949 28.793 29.700 0.070 0.000 0.755 263 E HN 0.124 nan 8.360 nan 0.000 0.447 264 I N 0.593 121.212 120.570 0.083 0.000 2.179 264 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 264 I C 2.353 178.536 176.117 0.109 0.000 1.088 264 I CA 1.663 63.000 61.300 0.060 0.000 1.357 264 I CB -1.865 36.126 38.000 -0.015 0.000 1.051 264 I HN 0.170 nan 8.210 nan 0.000 0.409 265 G N 0.280 109.154 108.800 0.123 0.000 2.476 265 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 265 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 265 G C 1.782 176.848 174.900 0.276 0.000 1.164 265 G CA 1.116 46.358 45.100 0.237 0.000 0.768 265 G HN 0.422 nan 8.290 nan 0.000 0.560 266 Y N 2.115 122.485 120.300 0.116 0.000 2.145 266 Y HA 0.043 4.593 4.550 -0.000 0.000 0.286 266 Y C 2.883 178.829 175.900 0.077 0.000 1.145 266 Y CA 1.284 59.432 58.100 0.081 0.000 1.148 266 Y CB -0.668 37.820 38.460 0.046 0.000 0.981 266 Y HN 0.261 nan 8.280 nan 0.000 0.507 267 A N 0.387 123.124 122.820 -0.138 0.000 1.892 267 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 267 A C 2.255 179.741 177.584 -0.164 0.000 1.188 267 A CA 1.899 53.799 52.037 -0.229 0.000 0.631 267 A CB -1.719 17.271 19.000 -0.017 0.000 0.822 267 A HN 0.661 nan 8.150 nan 0.000 0.447 268 F N 0.929 120.791 119.950 -0.146 0.000 2.134 268 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 268 F C 2.189 177.891 175.800 -0.164 0.000 1.097 268 F CA 2.252 60.175 58.000 -0.128 0.000 1.264 268 F CB -0.331 38.653 39.000 -0.026 0.000 1.001 268 F HN 0.353 nan 8.300 nan 0.000 0.479 269 E N 0.604 120.725 120.200 -0.131 0.000 2.097 269 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 269 E C 1.779 178.198 176.600 -0.302 0.000 1.000 269 E CA 2.038 58.317 56.400 -0.202 0.000 0.804 269 E CB -0.685 29.006 29.700 -0.016 0.000 0.740 269 E HN 0.573 nan 8.360 nan 0.000 0.454 270 D N -0.744 119.419 120.400 -0.395 0.000 2.097 270 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 270 D C 1.820 177.951 176.300 -0.282 0.000 0.984 270 D CA 1.767 55.557 54.000 -0.351 0.000 0.826 270 D CB -0.376 40.125 40.800 -0.497 0.000 0.973 270 D HN 0.272 nan 8.370 nan 0.000 0.460 271 A N 0.016 122.640 122.820 -0.327 0.000 2.084 271 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 271 A C 2.088 179.480 177.584 -0.320 0.000 1.161 271 A CA 0.942 52.803 52.037 -0.293 0.000 0.653 271 A CB -0.704 18.121 19.000 -0.291 0.000 0.802 271 A HN 0.428 nan 8.150 nan 0.000 0.457 272 L N -0.065 120.916 121.223 -0.403 0.000 2.592 272 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 272 L C 0.607 177.417 176.870 -0.100 0.000 1.127 272 L CA -0.216 54.432 54.840 -0.321 0.000 0.884 272 L CB -0.337 41.449 42.059 -0.455 0.000 1.065 272 L HN 0.435 nan 8.230 nan 0.000 0.457 273 K N 0.650 120.996 120.400 -0.091 0.000 2.511 273 K HA 0.155 4.475 4.320 -0.000 0.000 0.280 273 K C 1.087 177.714 176.600 0.045 0.000 1.008 273 K CA 0.639 56.915 56.287 -0.019 0.000 1.050 273 K CB 0.282 32.765 32.500 -0.027 0.000 0.889 273 K HN 0.154 nan 8.250 nan 0.000 0.484 274 G N 3.348 112.189 108.800 0.068 0.000 2.640 274 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.226 274 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.226 274 G C 0.627 175.618 174.900 0.152 0.000 1.222 274 G CA 0.377 45.533 45.100 0.093 0.000 0.729 274 G HN 0.682 nan 8.290 nan 0.000 0.516 275 F N 1.514 121.499 119.950 0.057 0.000 2.060 275 F HA 0.368 4.895 4.527 -0.000 0.000 0.295 275 F C 1.358 177.304 175.800 0.244 0.000 1.120 275 F CA 1.419 59.505 58.000 0.142 0.000 1.205 275 F CB -0.049 39.000 39.000 0.082 0.000 0.986 275 F HN 0.144 nan 8.300 nan 0.000 0.470 276 I N 1.451 122.211 120.570 0.317 0.000 2.312 276 I HA 0.089 4.259 4.170 -0.000 0.000 0.291 276 I C -0.312 175.888 176.117 0.139 0.000 1.031 276 I CA 0.369 61.801 61.300 0.220 0.000 1.293 276 I CB 1.183 39.285 38.000 0.170 0.000 1.403 276 I HN 0.096 nan 8.210 nan 0.000 0.484 277 Q N 4.779 124.649 119.800 0.117 0.000 2.673 277 Q HA 0.421 4.761 4.340 -0.000 0.000 0.224 277 Q C -0.433 175.599 176.000 0.054 0.000 1.226 277 Q CA -0.175 55.666 55.803 0.063 0.000 1.019 277 Q CB 0.840 29.592 28.738 0.024 0.000 1.312 277 Q HN 0.652 nan 8.270 nan 0.000 0.566 278 S N 0.867 116.603 115.700 0.060 0.000 2.588 278 S HA 0.204 4.674 4.470 -0.000 0.000 0.275 278 S C -0.954 173.686 174.600 0.067 0.000 1.130 278 S CA -0.826 57.409 58.200 0.058 0.000 0.855 278 S CB 1.382 64.629 63.200 0.079 0.000 1.116 278 S HN 0.620 nan 8.310 nan 0.000 0.472 279 E N 1.540 121.779 120.200 0.065 0.000 2.653 279 E HA -0.131 4.219 4.350 -0.000 0.000 0.264 279 E C -0.621 176.056 176.600 0.128 0.000 0.949 279 E CA 0.331 56.785 56.400 0.089 0.000 0.953 279 E CB 0.304 30.058 29.700 0.090 0.000 0.925 279 E HN 0.524 nan 8.360 nan 0.000 0.475 280 D N 2.491 122.948 120.400 0.095 0.000 2.520 280 D HA 0.027 4.667 4.640 -0.000 0.000 0.243 280 D C 0.798 177.147 176.300 0.082 0.000 1.160 280 D CA 1.663 55.710 54.000 0.079 0.000 0.877 280 D CB 0.555 41.396 40.800 0.069 0.000 1.150 280 D HN 0.704 nan 8.370 nan 0.000 0.494 281 G N 3.905 112.732 108.800 0.044 0.000 2.307 281 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.210 281 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.210 281 G C 0.964 175.781 174.900 -0.139 0.000 1.005 281 G CA -0.246 44.829 45.100 -0.042 0.000 0.634 281 G HN 0.645 nan 8.290 nan 0.000 0.496 282 H N 0.752 119.839 119.070 0.029 0.000 2.551 282 H HA 0.238 4.794 4.556 -0.000 0.000 0.271 282 H C 2.490 177.833 175.328 0.024 0.000 0.984 282 H CA 0.436 56.499 56.048 0.024 0.000 1.164 282 H CB 0.320 30.096 29.762 0.022 0.000 1.437 282 H HN 0.427 nan 8.280 nan 0.000 0.550 283 R N -0.004 120.553 120.500 0.095 0.000 2.081 283 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 283 R C 1.934 178.272 176.300 0.063 0.000 1.131 283 R CA 1.553 57.687 56.100 0.057 0.000 0.960 283 R CB -0.145 30.145 30.300 -0.018 0.000 0.856 283 R HN 0.097 nan 8.270 nan 0.000 0.436 284 T N 1.497 116.074 114.554 0.038 0.000 2.674 284 T HA -0.184 4.166 4.350 -0.000 0.000 0.265 284 T C 1.756 176.505 174.700 0.082 0.000 1.039 284 T CA 1.912 64.066 62.100 0.090 0.000 1.150 284 T CB -0.186 68.712 68.868 0.049 0.000 0.864 284 T HN 0.557 nan 8.240 nan 0.000 0.427 285 E N 0.230 120.444 120.200 0.024 0.000 2.106 285 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 285 E C 2.335 178.954 176.600 0.033 0.000 0.984 285 E CA 1.226 57.630 56.400 0.007 0.000 0.806 285 E CB -0.781 28.933 29.700 0.023 0.000 0.750 285 E HN 0.402 nan 8.360 nan 0.000 0.458 286 C N 0.549 119.892 119.300 0.072 0.000 2.446 286 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 286 C C 2.400 177.401 174.990 0.019 0.000 1.275 286 C CA 0.704 59.752 59.018 0.051 0.000 1.727 286 C CB -1.249 26.537 27.740 0.076 0.000 2.010 286 C HN 0.576 nan 8.230 nan 0.000 0.486 287 F N 1.543 121.449 119.950 -0.074 0.000 2.095 287 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 287 F C 2.028 177.760 175.800 -0.113 0.000 1.104 287 F CA 1.729 59.657 58.000 -0.119 0.000 1.232 287 F CB -0.574 38.406 39.000 -0.032 0.000 0.987 287 F HN 0.130 nan 8.300 nan 0.000 0.475 288 L N -0.042 121.117 121.223 -0.107 0.000 2.042 288 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 288 L C 2.594 179.319 176.870 -0.241 0.000 1.076 288 L CA 1.749 56.460 54.840 -0.215 0.000 0.749 288 L CB -0.982 41.014 42.059 -0.104 0.000 0.893 288 L HN 0.247 nan 8.230 nan 0.000 0.432 289 Q N 0.415 120.118 119.800 -0.161 0.000 2.096 289 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 289 Q C 2.062 177.958 176.000 -0.172 0.000 0.982 289 Q CA 1.870 57.597 55.803 -0.127 0.000 0.850 289 Q CB -0.427 28.271 28.738 -0.067 0.000 0.901 289 Q HN 0.392 nan 8.270 nan 0.000 0.422 290 L N -0.742 120.318 121.223 -0.273 0.000 2.017 290 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 290 L C 2.078 178.733 176.870 -0.359 0.000 1.073 290 L CA 1.685 56.319 54.840 -0.344 0.000 0.745 290 L CB -0.773 40.930 42.059 -0.592 0.000 0.894 290 L HN 0.162 nan 8.230 nan 0.000 0.432 291 V N -0.910 118.690 119.914 -0.524 0.000 2.295 291 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 291 V C 2.776 178.803 176.094 -0.112 0.000 1.049 291 V CA 1.845 63.982 62.300 -0.272 0.000 1.024 291 V CB -0.804 30.799 31.823 -0.366 0.000 0.648 291 V HN 0.667 nan 8.190 nan 0.000 0.447 292 S N -0.253 115.365 115.700 -0.135 0.000 2.359 292 S HA -0.266 4.204 4.470 -0.000 0.000 0.224 292 S C 1.786 176.366 174.600 -0.033 0.000 1.035 292 S CA 2.042 60.197 58.200 -0.074 0.000 1.018 292 S CB -0.483 62.664 63.200 -0.088 0.000 0.876 292 S HN 0.652 nan 8.310 nan 0.000 0.448 293 D N 1.072 121.446 120.400 -0.042 0.000 2.144 293 D HA 0.013 4.653 4.640 -0.000 0.000 0.199 293 D C 2.197 178.479 176.300 -0.030 0.000 0.984 293 D CA 1.288 55.294 54.000 0.011 0.000 0.834 293 D CB -0.598 40.210 40.800 0.013 0.000 0.955 293 D HN 0.502 nan 8.370 nan 0.000 0.465 294 A N 0.560 123.300 122.820 -0.135 0.000 1.872 294 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 294 A C 2.547 179.905 177.584 -0.377 0.000 1.187 294 A CA 1.018 52.764 52.037 -0.486 0.000 0.614 294 A CB -0.810 17.826 19.000 -0.607 0.000 0.826 294 A HN 0.107 nan 8.150 nan 0.000 0.442 295 V N -1.137 118.665 119.914 -0.187 0.000 2.231 295 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 295 V C 2.365 178.433 176.094 -0.044 0.000 1.054 295 V CA 2.527 64.756 62.300 -0.117 0.000 1.015 295 V CB -1.025 30.758 31.823 -0.067 0.000 0.638 295 V HN 0.711 nan 8.190 nan 0.000 0.444 296 Y N 1.573 121.809 120.300 -0.107 0.000 2.097 296 Y HA -0.151 4.399 4.550 0.000 0.000 0.282 296 Y C 2.344 178.216 175.900 -0.047 0.000 1.152 296 Y CA 1.805 59.866 58.100 -0.065 0.000 1.136 296 Y CB -1.079 37.349 38.460 -0.052 0.000 0.975 296 Y HN 0.195 nan 8.280 nan 0.000 0.498 297 G N -0.743 108.008 108.800 -0.081 0.000 2.491 297 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 297 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 297 G C 1.855 176.698 174.900 -0.096 0.000 1.180 297 G CA 1.758 46.786 45.100 -0.120 0.000 0.774 297 G HN 0.551 nan 8.290 nan 0.000 0.562 298 S N 0.183 115.862 115.700 -0.035 0.000 2.423 298 S HA 0.209 4.679 4.470 -0.000 0.000 0.231 298 S C 2.074 176.662 174.600 -0.020 0.000 1.014 298 S CA 1.206 59.437 58.200 0.052 0.000 0.965 298 S CB -0.684 62.562 63.200 0.077 0.000 0.785 298 S HN 1.668 nan 8.310 nan 0.000 0.495 299 G N 0.568 109.315 108.800 -0.089 0.000 2.321 299 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.287 299 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.287 299 G C 0.542 175.447 174.900 0.007 0.000 1.018 299 G CA 0.473 45.531 45.100 -0.070 0.000 0.855 299 G HN 0.763 nan 8.290 nan 0.000 0.507 300 V N -0.967 118.945 119.914 -0.003 0.000 3.041 300 V HA 0.048 4.168 4.120 -0.000 0.000 0.260 300 V C 2.596 178.793 176.094 0.172 0.000 1.105 300 V CA 1.830 64.160 62.300 0.049 0.000 1.125 300 V CB -0.035 31.703 31.823 -0.141 0.000 0.730 300 V HN 0.401 nan 8.190 nan 0.000 0.479 301 L N -0.034 121.259 121.223 0.115 0.000 2.109 301 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 301 L C 2.161 179.232 176.870 0.334 0.000 1.086 301 L CA 1.734 56.708 54.840 0.223 0.000 0.760 301 L CB -0.994 41.066 42.059 0.001 0.000 0.910 301 L HN 0.341 nan 8.230 nan 0.000 0.437 302 D N -0.319 120.204 120.400 0.205 0.000 2.133 302 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 302 D C 2.248 178.623 176.300 0.125 0.000 0.997 302 D CA 1.130 55.226 54.000 0.159 0.000 0.840 302 D CB -0.123 40.729 40.800 0.086 0.000 0.947 302 D HN 0.357 nan 8.370 nan 0.000 0.452 303 R N -0.040 120.535 120.500 0.125 0.000 2.092 303 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 303 R C 2.341 178.666 176.300 0.042 0.000 1.119 303 R CA 0.381 56.524 56.100 0.073 0.000 0.970 303 R CB -0.528 29.822 30.300 0.084 0.000 0.864 303 R HN 0.169 nan 8.270 nan 0.000 0.440 304 L N 1.343 122.643 121.223 0.130 0.000 2.005 304 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 304 L C 2.188 179.090 176.870 0.055 0.000 1.072 304 L CA 1.345 56.242 54.840 0.095 0.000 0.744 304 L CB -0.616 41.651 42.059 0.347 0.000 0.895 304 L HN 0.084 nan 8.230 nan 0.000 0.433 305 L N -0.245 121.031 121.223 0.089 0.000 2.129 305 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 305 L C 2.350 179.148 176.870 -0.119 0.000 1.087 305 L CA 1.813 56.582 54.840 -0.118 0.000 0.757 305 L CB -0.651 41.358 42.059 -0.082 0.000 0.896 305 L HN 0.429 nan 8.230 nan 0.000 0.434 306 E N -0.664 119.494 120.200 -0.069 0.000 2.072 306 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 306 E C 2.155 178.693 176.600 -0.104 0.000 0.985 306 E CA 1.387 57.728 56.400 -0.099 0.000 0.801 306 E CB -0.064 29.601 29.700 -0.060 0.000 0.750 306 E HN 0.485 nan 8.360 nan 0.000 0.452 307 I N 1.206 121.727 120.570 -0.081 0.000 2.226 307 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 307 I C 2.293 178.371 176.117 -0.064 0.000 1.100 307 I CA 1.443 62.699 61.300 -0.073 0.000 1.374 307 I CB -1.431 36.518 38.000 -0.085 0.000 1.057 307 I HN 0.190 nan 8.210 nan 0.000 0.413 308 Q N 1.128 120.895 119.800 -0.055 0.000 2.096 308 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 308 Q C 1.990 178.013 176.000 0.038 0.000 0.982 308 Q CA 1.517 57.328 55.803 0.014 0.000 0.850 308 Q CB -0.251 28.515 28.738 0.045 0.000 0.901 308 Q HN 0.500 nan 8.270 nan 0.000 0.422 309 K N 0.472 120.734 120.400 -0.230 0.000 2.555 309 K HA -0.040 4.280 4.320 -0.000 0.000 0.193 309 K C 1.459 177.909 176.600 -0.249 0.000 1.032 309 K CA 0.132 56.074 56.287 -0.575 0.000 1.004 309 K CB 0.090 32.151 32.500 -0.732 0.000 0.804 309 K HN 0.105 nan 8.250 nan 0.000 0.496 310 L N 0.779 121.932 121.223 -0.117 0.000 2.551 310 L HA -0.094 4.246 4.340 -0.000 0.000 0.228 310 L C 0.692 177.556 176.870 -0.010 0.000 1.153 310 L CA 0.654 55.461 54.840 -0.055 0.000 0.851 310 L CB -0.070 41.969 42.059 -0.033 0.000 0.959 310 L HN 0.063 nan 8.230 nan 0.000 0.451 311 D N 0.150 120.550 120.400 0.001 0.000 2.498 311 D HA -0.018 4.622 4.640 -0.000 0.000 0.229 311 D C 1.087 177.474 176.300 0.144 0.000 1.188 311 D CA 0.275 54.310 54.000 0.058 0.000 1.028 311 D CB 0.410 41.196 40.800 -0.024 0.000 1.087 311 D HN 0.133 nan 8.370 nan 0.000 0.510 312 K N 1.514 121.982 120.400 0.114 0.000 2.155 312 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 312 K C 1.320 178.020 176.600 0.167 0.000 1.052 312 K CA 0.831 57.176 56.287 0.098 0.000 0.948 312 K CB 0.420 32.961 32.500 0.070 0.000 0.728 312 K HN 0.396 nan 8.250 nan 0.000 0.448 313 L N -0.128 121.220 121.223 0.210 0.000 2.731 313 L HA 0.214 4.554 4.340 -0.000 0.000 0.240 313 L C -0.511 176.526 176.870 0.280 0.000 1.120 313 L CA -0.437 54.561 54.840 0.264 0.000 0.913 313 L CB -0.163 42.002 42.059 0.177 0.000 1.213 313 L HN 0.166 nan 8.230 nan 0.000 0.515 314 D N -0.604 119.961 120.400 0.275 0.000 10.847 314 D HA -0.259 4.381 4.640 -0.000 0.000 0.350 314 D C 0.702 177.165 176.300 0.272 0.000 3.129 314 D CA 0.381 54.542 54.000 0.268 0.000 2.659 314 D CB 0.237 41.159 40.800 0.203 0.000 1.194 314 D HN 0.028 nan 8.370 nan 0.000 0.939 315 I N 2.105 122.845 120.570 0.283 0.000 2.236 315 I HA -0.220 3.950 4.170 -0.000 0.000 0.249 315 I C 1.928 178.152 176.117 0.179 0.000 1.102 315 I CA 2.112 63.491 61.300 0.131 0.000 1.365 315 I CB -0.417 37.663 38.000 0.133 0.000 1.051 315 I HN 0.544 nan 8.210 nan 0.000 0.420 316 E N -0.229 120.112 120.200 0.236 0.000 2.204 316 E HA -0.151 4.198 4.350 -0.000 0.000 0.195 316 E C 2.140 178.939 176.600 0.331 0.000 0.990 316 E CA 0.953 57.556 56.400 0.338 0.000 0.821 316 E CB -0.377 29.495 29.700 0.287 0.000 0.750 316 E HN 0.713 nan 8.360 nan 0.000 0.477 317 G N 1.015 109.943 108.800 0.214 0.000 2.447 317 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.211 317 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.211 317 G C 1.677 176.529 174.900 -0.081 0.000 1.184 317 G CA 0.533 45.602 45.100 -0.051 0.000 0.813 317 G HN 0.303 nan 8.290 nan 0.000 0.540 318 A N 0.617 123.420 122.820 -0.028 0.000 1.972 318 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 318 A C 2.302 179.818 177.584 -0.113 0.000 1.169 318 A CA 1.432 53.414 52.037 -0.093 0.000 0.635 318 A CB -0.382 18.534 19.000 -0.140 0.000 0.810 318 A HN 0.379 nan 8.150 nan 0.000 0.446 319 I N -0.133 120.377 120.570 -0.100 0.000 2.194 319 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 319 I C 2.266 178.351 176.117 -0.053 0.000 1.093 319 I CA 1.891 63.111 61.300 -0.134 0.000 1.355 319 I CB -0.423 37.466 38.000 -0.184 0.000 1.046 319 I HN 0.475 nan 8.210 nan 0.000 0.413 320 H N -0.834 118.217 119.070 -0.032 0.000 2.387 320 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 320 H C 2.458 177.744 175.328 -0.070 0.000 1.090 320 H CA 1.872 57.904 56.048 -0.026 0.000 1.332 320 H CB -0.582 28.983 29.762 -0.329 0.000 1.386 320 H HN 0.422 nan 8.280 nan 0.000 0.516 321 C N 0.713 119.992 119.300 -0.035 0.000 2.440 321 C HA -0.164 4.295 4.460 -0.000 0.000 0.278 321 C C 2.688 177.666 174.990 -0.020 0.000 1.295 321 C CA 0.658 59.644 59.018 -0.053 0.000 1.738 321 C CB -1.319 26.377 27.740 -0.074 0.000 1.987 321 C HN 0.585 nan 8.230 nan 0.000 0.492 322 Y N 0.547 120.748 120.300 -0.165 0.000 2.114 322 Y HA -0.294 4.256 4.550 0.000 0.000 0.282 322 Y C 2.226 177.966 175.900 -0.267 0.000 1.165 322 Y CA 1.875 59.817 58.100 -0.264 0.000 1.148 322 Y CB -0.754 37.459 38.460 -0.412 0.000 0.972 322 Y HN 0.427 nan 8.280 nan 0.000 0.504 323 Y N 0.601 120.812 120.300 -0.148 0.000 2.352 323 Y HA -0.164 4.386 4.550 -0.000 0.000 0.292 323 Y C 2.161 177.959 175.900 -0.170 0.000 1.136 323 Y CA 1.502 59.471 58.100 -0.219 0.000 1.227 323 Y CB -0.522 37.909 38.460 -0.049 0.000 0.991 323 Y HN 0.214 nan 8.280 nan 0.000 0.545 324 D N -0.309 120.123 120.400 0.054 0.000 2.144 324 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 324 D C 2.168 178.408 176.300 -0.099 0.000 0.978 324 D CA 0.997 55.007 54.000 0.018 0.000 0.833 324 D CB -0.170 40.671 40.800 0.069 0.000 0.961 324 D HN 0.181 nan 8.370 nan 0.000 0.470 325 I N 1.363 121.827 120.570 -0.177 0.000 2.113 325 I HA -0.182 3.988 4.170 -0.000 0.000 0.238 325 I C 2.326 178.254 176.117 -0.315 0.000 1.070 325 I CA 0.952 62.115 61.300 -0.228 0.000 1.332 325 I CB -1.184 36.682 38.000 -0.223 0.000 1.044 325 I HN 0.091 nan 8.210 nan 0.000 0.402 326 I N -1.069 119.242 120.570 -0.431 0.000 3.680 326 I HA 0.125 4.295 4.170 -0.000 0.000 0.306 326 I C 0.427 176.402 176.117 -0.236 0.000 1.260 326 I CA 0.301 61.372 61.300 -0.382 0.000 1.201 326 I CB -1.326 36.348 38.000 -0.543 0.000 1.009 326 I HN 0.301 nan 8.210 nan 0.000 0.467 327 N N 1.667 120.254 118.700 -0.188 0.000 2.727 327 N HA -0.270 4.470 4.740 -0.000 0.000 0.249 327 N C -0.090 175.378 175.510 -0.072 0.000 1.048 327 N CA 0.808 53.789 53.050 -0.115 0.000 0.714 327 N CB -0.520 37.893 38.487 -0.123 0.000 0.959 327 N HN 0.842 nan 8.380 nan 0.000 0.544 328 Q N 0.057 119.834 119.800 -0.039 0.000 2.375 328 Q HA 0.496 4.836 4.340 -0.000 0.000 0.271 328 Q C -2.739 173.249 176.000 -0.020 0.000 1.074 328 Q CA -2.180 53.620 55.803 -0.006 0.000 0.808 328 Q CB 1.789 30.564 28.738 0.061 0.000 1.327 328 Q HN -0.024 nan 8.270 nan 0.000 0.441 329 P HA -0.039 nan 4.420 nan 0.000 0.260 329 P C -0.640 176.513 177.300 -0.245 0.000 1.185 329 P CA 0.003 63.023 63.100 -0.134 0.000 0.763 329 P CB 0.191 31.819 31.700 -0.120 0.000 0.776 330 C N 8.374 127.508 119.300 -0.276 0.000 2.663 330 C HA 0.121 4.581 4.460 -0.000 0.000 0.398 330 C C -0.498 174.226 174.990 -0.443 0.000 1.356 330 C CA -1.353 57.408 59.018 -0.428 0.000 1.629 330 C CB -0.840 26.789 27.740 -0.184 0.000 2.402 330 C HN 0.543 nan 8.230 nan 0.000 0.598 331 P HA -0.092 nan 4.420 nan 0.000 0.223 331 P C 1.431 178.565 177.300 -0.277 0.000 1.151 331 P CA 1.255 64.124 63.100 -0.386 0.000 0.787 331 P CB -0.050 31.409 31.700 -0.402 0.000 0.788 332 I N -0.533 119.831 120.570 -0.344 0.000 2.546 332 I HA -0.067 4.103 4.170 -0.000 0.000 0.255 332 I C 1.150 177.273 176.117 0.010 0.000 1.163 332 I CA 0.121 61.281 61.300 -0.234 0.000 1.457 332 I CB -1.742 35.937 38.000 -0.535 0.000 1.092 332 I HN -0.047 nan 8.210 nan 0.000 0.434 333 C N 3.323 122.650 119.300 0.046 0.000 2.347 333 C HA 0.346 4.806 4.460 -0.000 0.000 0.353 333 C C 1.396 176.380 174.990 -0.010 0.000 1.273 333 C CA -0.938 58.129 59.018 0.082 0.000 1.861 333 C CB 0.976 28.762 27.740 0.078 0.000 2.420 333 C HN 0.264 nan 8.230 nan 0.000 0.542 334 K N 1.892 122.298 120.400 0.010 0.000 2.894 334 K HA 0.389 4.709 4.320 -0.000 0.000 0.325 334 K C 0.376 176.966 176.600 -0.017 0.000 0.984 334 K CA -0.279 56.001 56.287 -0.011 0.000 1.266 334 K CB 0.246 32.750 32.500 0.006 0.000 1.423 334 K HN 0.694 nan 8.250 nan 0.000 0.614 343 L N 1.812 123.096 121.223 0.101 0.000 2.149 343 L HA -0.306 4.034 4.340 -0.000 0.000 0.223 343 L C 1.894 178.809 176.870 0.075 0.000 1.089 343 L CA 2.888 57.779 54.840 0.086 0.000 0.800 343 L CB -0.736 41.358 42.059 0.059 0.000 0.897 343 L HN 0.708 nan 8.230 nan 0.000 0.443 344 S N -0.560 115.186 115.700 0.077 0.000 2.377 344 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 344 S C 1.995 176.604 174.600 0.015 0.000 1.042 344 S CA 2.082 60.334 58.200 0.087 0.000 1.086 344 S CB -0.220 63.110 63.200 0.217 0.000 0.995 344 S HN 0.531 nan 8.310 nan 0.000 0.428 345 L N 0.114 121.272 121.223 -0.108 0.000 2.209 345 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 345 L C 2.238 178.978 176.870 -0.217 0.000 1.094 345 L CA 0.892 55.584 54.840 -0.246 0.000 0.790 345 L CB -0.519 41.233 42.059 -0.512 0.000 0.932 345 L HN 0.419 nan 8.230 nan 0.000 0.447 346 H N -0.345 118.707 119.070 -0.031 0.000 2.556 346 H HA 0.157 4.713 4.556 -0.000 0.000 0.268 346 H C 1.780 177.106 175.328 -0.004 0.000 0.996 346 H CA 0.871 56.915 56.048 -0.007 0.000 1.157 346 H CB 0.364 30.128 29.762 0.004 0.000 1.355 346 H HN 0.304 nan 8.280 nan 0.000 0.597 347 A N 0.529 123.396 122.820 0.078 0.000 2.308 347 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 347 A C 0.730 178.330 177.584 0.028 0.000 1.216 347 A CA -0.242 51.826 52.037 0.051 0.000 0.864 347 A CB 0.105 19.131 19.000 0.044 0.000 0.902 347 A HN 0.023 nan 8.150 nan 0.000 0.499 348 L N 1.722 122.951 121.223 0.011 0.000 2.485 348 L HA 0.226 4.566 4.340 -0.000 0.000 0.275 348 L C -1.831 175.044 176.870 0.007 0.000 1.207 348 L CA -1.771 53.070 54.840 0.001 0.000 0.855 348 L CB -0.266 41.781 42.059 -0.021 0.000 1.114 348 L HN 0.153 nan 8.230 nan 0.000 0.485 349 P HA -0.077 nan 4.420 nan 0.000 0.268 349 P C 1.020 178.324 177.300 0.007 0.000 1.208 349 P CA -0.393 62.712 63.100 0.008 0.000 0.777 349 P CB 0.702 32.406 31.700 0.007 0.000 0.875 350 L N 1.574 122.805 121.223 0.013 0.000 2.042 350 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 350 L C 1.722 178.601 176.870 0.014 0.000 1.076 350 L CA 2.207 57.058 54.840 0.018 0.000 0.749 350 L CB -1.200 40.883 42.059 0.039 0.000 0.893 350 L HN 0.356 nan 8.230 nan 0.000 0.432 351 D N -0.200 120.206 120.400 0.010 0.000 2.106 351 D HA -0.266 4.374 4.640 -0.000 0.000 0.191 351 D C 2.093 178.388 176.300 -0.008 0.000 0.997 351 D CA 1.629 55.628 54.000 -0.001 0.000 0.834 351 D CB 0.179 40.977 40.800 -0.003 0.000 0.956 351 D HN 0.337 nan 8.370 nan 0.000 0.448 352 E N -0.121 120.075 120.200 -0.007 0.000 2.110 352 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 352 E C 1.996 178.585 176.600 -0.018 0.000 0.988 352 E CA 1.383 57.777 56.400 -0.010 0.000 0.804 352 E CB -0.221 29.475 29.700 -0.006 0.000 0.745 352 E HN 0.047 nan 8.360 nan 0.000 0.458 353 S N -0.012 115.675 115.700 -0.022 0.000 2.368 353 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 353 S C 1.857 176.436 174.600 -0.036 0.000 1.030 353 S CA 1.216 59.396 58.200 -0.033 0.000 0.999 353 S CB -0.330 62.851 63.200 -0.032 0.000 0.844 353 S HN 0.267 nan 8.310 nan 0.000 0.459 354 L N 1.409 122.613 121.223 -0.032 0.000 2.042 354 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 354 L C 2.572 179.397 176.870 -0.075 0.000 1.076 354 L CA 1.371 56.179 54.840 -0.052 0.000 0.749 354 L CB -0.500 41.537 42.059 -0.037 0.000 0.893 354 L HN 0.268 nan 8.230 nan 0.000 0.432 355 K N 0.868 121.237 120.400 -0.050 0.000 2.020 355 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 355 K C 2.140 178.726 176.600 -0.025 0.000 1.050 355 K CA 1.828 58.090 56.287 -0.041 0.000 0.929 355 K CB -0.228 32.260 32.500 -0.021 0.000 0.714 355 K HN 0.184 nan 8.250 nan 0.000 0.443 356 I N 0.677 121.240 120.570 -0.011 0.000 2.151 356 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 356 I C 2.272 178.417 176.117 0.047 0.000 1.080 356 I CA 1.220 62.531 61.300 0.017 0.000 1.339 356 I CB -0.185 37.814 38.000 -0.002 0.000 1.039 356 I HN 0.034 nan 8.210 nan 0.000 0.409 357 V N 0.542 120.461 119.914 0.008 0.000 2.379 357 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 357 V C 2.460 178.570 176.094 0.026 0.000 1.044 357 V CA 1.801 64.117 62.300 0.027 0.000 1.036 357 V CB -0.678 31.141 31.823 -0.006 0.000 0.664 357 V HN 0.392 nan 8.190 nan 0.000 0.453 358 K N 0.445 120.785 120.400 -0.099 0.000 2.009 358 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 358 K C 2.127 178.722 176.600 -0.009 0.000 1.049 358 K CA 2.163 58.313 56.287 -0.228 0.000 0.929 358 K CB -0.180 32.106 32.500 -0.356 0.000 0.714 358 K HN 0.561 nan 8.250 nan 0.000 0.440 359 E N -0.787 119.432 120.200 0.033 0.000 2.153 359 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 359 E C 1.855 178.517 176.600 0.103 0.000 0.988 359 E CA 1.197 57.641 56.400 0.072 0.000 0.811 359 E CB -0.190 29.537 29.700 0.045 0.000 0.746 359 E HN 0.408 nan 8.360 nan 0.000 0.466 360 Y N 1.324 121.642 120.300 0.030 0.000 2.145 360 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 360 Y C 1.935 177.873 175.900 0.063 0.000 1.145 360 Y CA 1.451 59.571 58.100 0.035 0.000 1.148 360 Y CB -0.017 38.456 38.460 0.023 0.000 0.981 360 Y HN -0.050 nan 8.280 nan 0.000 0.507 361 L N -0.462 120.958 121.223 0.329 0.000 2.275 361 L HA -0.176 4.163 4.340 -0.000 0.000 0.215 361 L C 2.130 179.177 176.870 0.296 0.000 1.119 361 L CA 0.847 55.888 54.840 0.335 0.000 0.790 361 L CB -0.395 41.897 42.059 0.387 0.000 0.919 361 L HN 0.330 nan 8.230 nan 0.000 0.443 362 I N -0.217 120.518 120.570 0.274 0.000 2.235 362 I HA -0.189 3.981 4.170 -0.000 0.000 0.241 362 I C 2.851 179.034 176.117 0.110 0.000 1.085 362 I CA 0.954 62.418 61.300 0.273 0.000 1.378 362 I CB -0.467 37.673 38.000 0.233 0.000 1.076 362 I HN 0.146 nan 8.210 nan 0.000 0.415 363 A N 1.179 124.002 122.820 0.005 0.000 1.884 363 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 363 A C 2.569 180.084 177.584 -0.114 0.000 1.197 363 A CA 2.428 54.415 52.037 -0.083 0.000 0.637 363 A CB -1.144 17.754 19.000 -0.170 0.000 0.827 363 A HN 0.451 nan 8.150 nan 0.000 0.450 364 A N -1.100 121.605 122.820 -0.191 0.000 1.896 364 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 364 A C 2.334 179.922 177.584 0.008 0.000 1.206 364 A CA 2.885 54.834 52.037 -0.148 0.000 0.647 364 A CB -1.687 17.271 19.000 -0.070 0.000 0.828 364 A HN 0.505 nan 8.150 nan 0.000 0.455 365 T N 0.287 114.900 114.554 0.099 0.000 2.597 365 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 365 T C 2.192 176.949 174.700 0.096 0.000 1.053 365 T CA 2.324 64.511 62.100 0.146 0.000 1.165 365 T CB -0.687 68.344 68.868 0.271 0.000 0.863 365 T HN 0.729 nan 8.240 nan 0.000 0.427 366 A N 1.425 124.279 122.820 0.056 0.000 1.978 366 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 366 A C 2.196 179.818 177.584 0.063 0.000 1.170 366 A CA 1.541 53.599 52.037 0.036 0.000 0.636 366 A CB -0.434 18.560 19.000 -0.010 0.000 0.810 366 A HN 0.502 nan 8.150 nan 0.000 0.448 367 K N -1.271 119.144 120.400 0.025 0.000 2.366 367 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 367 K C 0.795 177.438 176.600 0.071 0.000 1.044 367 K CA 1.273 57.572 56.287 0.020 0.000 0.973 367 K CB 0.005 32.464 32.500 -0.068 0.000 0.767 367 K HN 0.475 nan 8.250 nan 0.000 0.475 368 D N -0.056 120.395 120.400 0.084 0.000 2.433 368 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 368 D C 0.339 176.715 176.300 0.126 0.000 1.114 368 D CA -0.271 53.793 54.000 0.106 0.000 0.837 368 D CB 0.392 41.251 40.800 0.098 0.000 0.984 368 D HN 0.231 nan 8.370 nan 0.000 0.505 369 C N -0.614 118.771 119.300 0.143 0.000 2.639 369 C HA 0.766 5.226 4.460 -0.000 0.000 0.360 369 C C 0.517 175.610 174.990 0.172 0.000 1.351 369 C CA -0.715 58.402 59.018 0.165 0.000 2.408 369 C CB 0.788 28.650 27.740 0.203 0.000 2.517 369 C HN 0.121 nan 8.230 nan 0.000 0.696 370 S N 0.335 116.125 115.700 0.151 0.000 2.568 370 S HA 0.721 5.191 4.470 -0.000 0.000 0.293 370 S C -0.684 173.947 174.600 0.051 0.000 1.089 370 S CA -0.406 57.851 58.200 0.095 0.000 0.945 370 S CB 1.190 64.425 63.200 0.059 0.000 1.077 370 S HN 0.691 nan 8.310 nan 0.000 0.485 371 I N 2.233 122.782 120.570 -0.035 0.000 2.392 371 I HA 0.407 4.577 4.170 -0.000 0.000 0.295 371 I C -0.245 175.794 176.117 -0.129 0.000 0.985 371 I CA -0.204 60.987 61.300 -0.182 0.000 1.221 371 I CB 1.037 38.886 38.000 -0.252 0.000 1.366 371 I HN 0.291 nan 8.210 nan 0.000 0.467 372 M N 6.797 126.318 119.600 -0.132 0.000 2.167 372 M HA 0.510 4.990 4.480 -0.000 0.000 0.333 372 M C -0.915 175.369 176.300 -0.027 0.000 1.030 372 M CA -0.407 54.865 55.300 -0.047 0.000 0.963 372 M CB 1.687 34.266 32.600 -0.036 0.000 1.589 372 M HN 0.427 nan 8.290 nan 0.000 0.431 373 I N 2.902 123.459 120.570 -0.022 0.000 2.354 373 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 373 I C -0.077 175.999 176.117 -0.068 0.000 1.007 373 I CA -0.488 60.752 61.300 -0.100 0.000 1.167 373 I CB 1.455 39.327 38.000 -0.213 0.000 1.320 373 I HN 0.560 nan 8.210 nan 0.000 0.458 374 S N 5.935 121.648 115.700 0.021 0.000 2.499 374 S HA 0.636 5.106 4.470 -0.000 0.000 0.279 374 S C -0.544 174.150 174.600 0.156 0.000 1.219 374 S CA -0.558 57.767 58.200 0.209 0.000 1.062 374 S CB 0.683 64.107 63.200 0.372 0.000 0.978 374 S HN 0.280 nan 8.310 nan 0.000 0.489 375 F N 1.220 121.425 119.950 0.424 0.000 2.523 375 F HA 0.674 5.201 4.527 0.000 0.000 0.329 375 F C 0.403 176.490 175.800 0.478 0.000 1.061 375 F CA -0.679 57.606 58.000 0.476 0.000 0.967 375 F CB 1.652 40.939 39.000 0.478 0.000 1.218 375 F HN 0.547 nan 8.300 nan 0.000 0.480 376 Q N 0.882 121.031 119.800 0.581 0.000 2.403 376 Q HA 0.239 4.579 4.340 -0.000 0.000 0.267 376 Q C -1.287 174.818 176.000 0.174 0.000 0.991 376 Q CA -0.650 55.320 55.803 0.279 0.000 0.906 376 Q CB 2.028 30.523 28.738 -0.405 0.000 1.422 376 Q HN 0.696 nan 8.270 nan 0.000 0.400 377 S N 2.718 118.414 115.700 -0.007 0.000 2.544 377 S HA 0.040 4.510 4.470 -0.000 0.000 0.290 377 S C 0.094 174.575 174.600 -0.199 0.000 1.276 377 S CA -0.092 57.927 58.200 -0.302 0.000 1.075 377 S CB 0.263 63.261 63.200 -0.337 0.000 0.849 377 S HN 0.632 nan 8.310 nan 0.000 0.494 378 R N 3.752 124.119 120.500 -0.222 0.000 2.486 378 R HA -0.092 4.248 4.340 -0.000 0.000 0.304 378 R C -0.306 175.920 176.300 -0.125 0.000 0.913 378 R CA 0.596 56.608 56.100 -0.146 0.000 1.124 378 R CB -0.279 29.920 30.300 -0.169 0.000 0.891 378 R HN 0.663 nan 8.270 nan 0.000 0.410 379 N N 3.370 122.026 118.700 -0.074 0.000 2.500 379 N HA 0.219 4.959 4.740 -0.000 0.000 0.236 379 N C 0.330 175.826 175.510 -0.023 0.000 1.022 379 N CA 0.276 53.319 53.050 -0.012 0.000 0.935 379 N CB 1.348 39.856 38.487 0.036 0.000 1.147 379 N HN 0.656 nan 8.380 nan 0.000 0.512 380 A N 2.870 125.640 122.820 -0.084 0.000 2.125 380 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 380 A C 1.143 178.559 177.584 -0.280 0.000 1.156 380 A CA 0.756 52.658 52.037 -0.225 0.000 0.671 380 A CB -0.552 18.247 19.000 -0.335 0.000 0.794 380 A HN 0.845 nan 8.150 nan 0.000 0.459 381 W N 0.873 122.151 121.300 -0.037 0.000 3.345 381 W HA 0.151 4.811 4.660 -0.000 0.000 0.282 381 W C -0.362 176.149 176.519 -0.014 0.000 1.302 381 W CA -0.720 56.611 57.345 -0.024 0.000 1.724 381 W CB 0.222 29.671 29.460 -0.019 0.000 1.104 381 W HN 0.133 nan 8.180 nan 0.000 0.694 382 D N -0.054 120.431 120.400 0.141 0.000 2.472 382 D HA -0.079 4.561 4.640 -0.000 0.000 0.237 382 D C 1.659 178.009 176.300 0.083 0.000 1.141 382 D CA 0.730 54.792 54.000 0.103 0.000 0.875 382 D CB 1.276 42.113 40.800 0.062 0.000 1.192 382 D HN 0.018 nan 8.370 nan 0.000 0.450 383 S N 1.633 117.382 115.700 0.082 0.000 2.383 383 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 383 S C 0.770 175.390 174.600 0.034 0.000 1.026 383 S CA 0.722 58.958 58.200 0.060 0.000 0.981 383 S CB 0.138 63.369 63.200 0.053 0.000 0.818 383 S HN 0.549 nan 8.310 nan 0.000 0.472 384 E N 1.854 122.072 120.200 0.031 0.000 2.580 384 E HA 0.427 4.777 4.350 -0.000 0.000 0.248 384 E C -3.059 173.550 176.600 0.015 0.000 1.018 384 E CA -2.198 54.212 56.400 0.016 0.000 0.775 384 E CB 0.983 30.692 29.700 0.015 0.000 1.378 384 E HN 0.153 nan 8.360 nan 0.000 0.401 385 P HA -0.063 nan 4.420 nan 0.000 0.258 385 P C -0.373 176.925 177.300 -0.003 0.000 1.172 385 P CA 0.201 63.287 63.100 -0.023 0.000 0.762 385 P CB 0.880 32.536 31.700 -0.073 0.000 0.764 386 S N 2.618 118.333 115.700 0.026 0.000 2.554 386 S HA 0.062 4.532 4.470 -0.000 0.000 0.290 386 S C 1.898 176.547 174.600 0.081 0.000 1.309 386 S CA 0.368 58.601 58.200 0.055 0.000 1.047 386 S CB 0.157 63.414 63.200 0.095 0.000 0.828 386 S HN 0.605 nan 8.310 nan 0.000 0.509 387 G N 2.709 111.551 108.800 0.069 0.000 2.421 387 G HA2 0.031 3.991 3.960 -0.000 0.000 0.217 387 G HA3 0.031 3.991 3.960 -0.000 0.000 0.217 387 G C -0.125 174.863 174.900 0.148 0.000 1.143 387 G CA 0.271 45.434 45.100 0.104 0.000 0.784 387 G HN 0.780 nan 8.290 nan 0.000 0.541 388 D N -0.147 120.263 120.400 0.017 0.000 2.233 388 D HA 0.507 5.146 4.640 -0.000 0.000 0.240 388 D C -0.771 175.479 176.300 -0.084 0.000 1.074 388 D CA -0.202 53.683 54.000 -0.190 0.000 0.838 388 D CB 1.329 41.750 40.800 -0.632 0.000 1.124 388 D HN 0.492 nan 8.370 nan 0.000 0.475 389 Y N -1.870 118.465 120.300 0.058 0.000 2.641 389 Y HA 0.582 5.132 4.550 -0.000 0.000 0.333 389 Y C -1.877 174.258 175.900 0.393 0.000 1.174 389 Y CA -1.285 56.967 58.100 0.254 0.000 1.057 389 Y CB 0.882 39.421 38.460 0.132 0.000 1.322 389 Y HN 0.070 nan 8.280 nan 0.000 0.457 390 V N 2.084 122.313 119.914 0.525 0.000 2.487 390 V HA 0.484 4.603 4.120 -0.000 0.000 0.298 390 V C -0.497 175.821 176.094 0.374 0.000 1.028 390 V CA -0.752 61.754 62.300 0.343 0.000 0.860 390 V CB 1.765 33.781 31.823 0.321 0.000 0.991 390 V HN 0.848 nan 8.190 nan 0.000 0.427 391 S N 5.391 121.252 115.700 0.268 0.000 2.430 391 S HA 0.475 4.945 4.470 -0.000 0.000 0.289 391 S C -0.136 174.564 174.600 0.167 0.000 1.143 391 S CA -0.364 57.969 58.200 0.222 0.000 1.067 391 S CB 0.440 63.757 63.200 0.195 0.000 0.964 391 S HN 0.556 nan 8.310 nan 0.000 0.485 392 L N 5.443 126.771 121.223 0.174 0.000 2.356 392 L HA 0.191 4.531 4.340 -0.000 0.000 0.282 392 L C 1.450 178.369 176.870 0.081 0.000 1.132 392 L CA -0.491 54.435 54.840 0.143 0.000 0.923 392 L CB 0.258 42.451 42.059 0.224 0.000 1.278 392 L HN 0.667 nan 8.230 nan 0.000 0.436 393 K N 2.840 123.276 120.400 0.061 0.000 2.015 393 K HA -0.171 4.149 4.320 -0.000 0.000 0.216 393 K C -0.556 176.059 176.600 0.024 0.000 1.052 393 K CA 1.420 57.729 56.287 0.037 0.000 0.937 393 K CB -1.479 31.038 32.500 0.030 0.000 0.719 393 K HN 0.512 nan 8.250 nan 0.000 0.446 394 P HA -0.139 nan 4.420 nan 0.000 0.215 394 P C 1.519 178.826 177.300 0.011 0.000 1.157 394 P CA 1.959 65.064 63.100 0.009 0.000 0.868 394 P CB -0.412 31.291 31.700 0.005 0.000 0.788 395 T N -4.990 109.583 114.554 0.031 0.000 3.148 395 T HA 0.063 4.413 4.350 -0.000 0.000 0.253 395 T C 0.757 175.458 174.700 0.003 0.000 1.134 395 T CA 0.038 62.155 62.100 0.029 0.000 1.051 395 T CB -1.051 67.858 68.868 0.069 0.000 0.959 395 T HN -0.066 nan 8.240 nan 0.000 0.525 396 N N 1.383 120.081 118.700 -0.003 0.000 2.754 396 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 396 N C -0.780 174.685 175.510 -0.074 0.000 1.093 396 N CA 0.722 53.755 53.050 -0.028 0.000 0.699 396 N CB -1.438 37.030 38.487 -0.032 0.000 1.016 396 N HN 0.733 nan 8.380 nan 0.000 0.552 397 Q N -0.674 119.074 119.800 -0.087 0.000 2.342 397 Q HA 0.545 4.885 4.340 -0.000 0.000 0.267 397 Q C -0.514 175.336 176.000 -0.251 0.000 1.038 397 Q CA -0.490 55.154 55.803 -0.265 0.000 0.832 397 Q CB 1.786 30.272 28.738 -0.420 0.000 1.323 397 Q HN 0.036 nan 8.270 nan 0.000 0.448 398 T N 2.240 116.578 114.554 -0.360 0.000 2.779 398 T HA 0.547 4.897 4.350 -0.000 0.000 0.280 398 T C -1.112 173.375 174.700 -0.355 0.000 0.987 398 T CA -0.347 61.649 62.100 -0.173 0.000 0.966 398 T CB 0.304 69.121 68.868 -0.085 0.000 0.933 398 T HN 0.252 nan 8.240 nan 0.000 0.442 399 F N 1.890 121.928 119.950 0.147 0.000 2.458 399 F HA 0.370 4.897 4.527 -0.000 0.000 0.336 399 F C 0.656 176.642 175.800 0.310 0.000 1.114 399 F CA -1.069 57.045 58.000 0.190 0.000 0.987 399 F CB 1.296 40.466 39.000 0.283 0.000 1.130 399 F HN 0.383 nan 8.300 nan 0.000 0.458 400 D N 2.409 123.021 120.400 0.353 0.000 2.302 400 D HA 0.196 4.836 4.640 -0.000 0.000 0.248 400 D C -0.780 175.765 176.300 0.408 0.000 1.094 400 D CA 0.281 54.461 54.000 0.301 0.000 0.897 400 D CB 1.329 42.203 40.800 0.123 0.000 1.200 400 D HN 0.480 nan 8.370 nan 0.000 0.429 401 Y N -1.296 119.182 120.300 0.298 0.000 2.576 401 Y HA 0.655 5.205 4.550 -0.000 0.000 0.346 401 Y C -0.876 175.124 175.900 0.167 0.000 1.018 401 Y CA -1.123 57.048 58.100 0.118 0.000 1.050 401 Y CB 1.541 39.835 38.460 -0.277 0.000 1.280 401 Y HN 0.022 nan 8.280 nan 0.000 0.474 402 K N 1.947 122.477 120.400 0.217 0.000 2.426 402 K HA 0.728 5.048 4.320 -0.000 0.000 0.251 402 K C -1.696 174.953 176.600 0.083 0.000 0.941 402 K CA -1.198 55.130 56.287 0.068 0.000 0.808 402 K CB 3.131 35.611 32.500 -0.032 0.000 1.265 402 K HN 0.630 nan 8.250 nan 0.000 0.432 403 V N -0.095 119.769 119.914 -0.084 0.000 2.555 403 V HA 0.555 4.675 4.120 -0.000 0.000 0.302 403 V C -0.579 175.251 176.094 -0.441 0.000 1.038 403 V CA -0.833 61.288 62.300 -0.297 0.000 0.887 403 V CB 1.589 33.070 31.823 -0.569 0.000 0.991 403 V HN 0.733 nan 8.190 nan 0.000 0.434 404 H N 2.520 121.445 119.070 -0.241 0.000 2.974 404 H HA 0.479 5.035 4.556 -0.000 0.000 0.366 404 H C -1.623 173.501 175.328 -0.340 0.000 1.155 404 H CA -0.474 55.481 56.048 -0.154 0.000 1.186 404 H CB 2.161 31.890 29.762 -0.056 0.000 1.799 404 H HN 0.607 nan 8.280 nan 0.000 0.541 405 F N 3.420 123.423 119.950 0.089 0.000 2.404 405 F HA 0.311 4.838 4.527 0.000 0.000 0.345 405 F C 1.071 176.871 175.800 0.001 0.000 1.110 405 F CA -0.548 57.475 58.000 0.037 0.000 1.130 405 F CB 0.675 39.705 39.000 0.050 0.000 1.129 405 F HN 0.345 nan 8.300 nan 0.000 0.500 406 I N -1.686 118.963 120.570 0.131 0.000 3.294 406 I HA 0.583 4.753 4.170 -0.000 0.000 0.311 406 I C -0.827 175.343 176.117 0.088 0.000 1.111 406 I CA -1.222 60.106 61.300 0.047 0.000 0.976 406 I CB 1.821 39.785 38.000 -0.061 0.000 1.260 406 I HN 0.422 nan 8.210 nan 0.000 0.474 407 D N 1.893 122.329 120.400 0.059 0.000 2.735 407 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 407 D C -0.749 175.613 176.300 0.103 0.000 1.175 407 D CA 0.875 54.918 54.000 0.072 0.000 0.683 407 D CB -1.233 39.608 40.800 0.069 0.000 1.008 407 D HN 0.458 nan 8.370 nan 0.000 0.416 408 L N 0.693 121.984 121.223 0.114 0.000 2.315 408 L HA 0.221 4.561 4.340 -0.000 0.000 0.278 408 L C 0.477 177.461 176.870 0.190 0.000 1.088 408 L CA -0.171 54.760 54.840 0.152 0.000 0.899 408 L CB 0.868 43.004 42.059 0.127 0.000 1.277 408 L HN -0.100 nan 8.230 nan 0.000 0.431 409 S N 2.677 118.467 115.700 0.150 0.000 2.525 409 S HA 0.450 4.920 4.470 -0.000 0.000 0.290 409 S C -0.343 174.220 174.600 -0.062 0.000 1.152 409 S CA -0.611 57.626 58.200 0.060 0.000 1.072 409 S CB 1.899 65.121 63.200 0.037 0.000 1.027 409 S HN 0.376 nan 8.310 nan 0.000 0.500 410 L N 4.207 125.194 121.223 -0.393 0.000 2.477 410 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 410 L C -0.268 176.452 176.870 -0.249 0.000 1.157 410 L CA 0.383 54.763 54.840 -0.766 0.000 0.889 410 L CB 0.033 41.514 42.059 -0.962 0.000 1.158 410 L HN 0.335 nan 8.230 nan 0.000 0.473 411 K N 7.363 127.719 120.400 -0.074 0.000 2.234 411 K HA 0.410 4.730 4.320 -0.000 0.000 0.282 411 K C -2.380 174.284 176.600 0.106 0.000 1.039 411 K CA -1.772 54.565 56.287 0.084 0.000 0.928 411 K CB 0.711 33.352 32.500 0.235 0.000 1.039 411 K HN 0.498 nan 8.250 nan 0.000 0.470 412 P HA 0.010 nan 4.420 nan 0.000 0.276 412 P C 0.841 178.183 177.300 0.071 0.000 1.230 412 P CA -0.480 62.656 63.100 0.060 0.000 0.776 412 P CB 0.801 32.506 31.700 0.009 0.000 0.888 413 L N 4.470 125.769 121.223 0.126 0.000 2.043 413 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 413 L C 2.287 179.183 176.870 0.044 0.000 1.075 413 L CA 2.008 56.925 54.840 0.128 0.000 0.752 413 L CB -1.043 41.118 42.059 0.170 0.000 0.891 413 L HN 0.369 nan 8.230 nan 0.000 0.432 414 K N -0.700 119.716 120.400 0.027 0.000 2.281 414 K HA -0.229 4.091 4.320 -0.000 0.000 0.203 414 K C 2.281 178.743 176.600 -0.230 0.000 1.046 414 K CA 1.101 57.369 56.287 -0.032 0.000 0.938 414 K CB -0.117 32.385 32.500 0.003 0.000 0.737 414 K HN 0.302 nan 8.250 nan 0.000 0.458 415 R N -0.047 120.286 120.500 -0.277 0.000 2.193 415 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 415 R C 1.973 177.857 176.300 -0.692 0.000 1.110 415 R CA 0.797 56.586 56.100 -0.518 0.000 0.988 415 R CB 0.021 29.945 30.300 -0.626 0.000 0.871 415 R HN 0.177 nan 8.270 nan 0.000 0.458 416 M N 0.437 119.705 119.600 -0.554 0.000 2.143 416 M HA -0.231 4.249 4.480 -0.000 0.000 0.258 416 M C 1.592 177.554 176.300 -0.563 0.000 1.071 416 M CA 1.776 56.730 55.300 -0.577 0.000 1.088 416 M CB -0.668 31.270 32.600 -1.103 0.000 1.360 416 M HN 0.214 nan 8.290 nan 0.000 0.404 417 E N -0.045 119.787 120.200 -0.612 0.000 2.028 417 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 417 E C 2.021 178.560 176.600 -0.101 0.000 0.988 417 E CA 1.847 58.075 56.400 -0.287 0.000 0.799 417 E CB -0.098 29.502 29.700 -0.166 0.000 0.755 417 E HN 0.600 nan 8.360 nan 0.000 0.447 418 S N -0.025 115.571 115.700 -0.173 0.000 2.423 418 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 418 S C 1.917 176.509 174.600 -0.013 0.000 1.014 418 S CA 0.669 58.807 58.200 -0.103 0.000 0.965 418 S CB -0.677 62.426 63.200 -0.162 0.000 0.785 418 S HN 0.332 nan 8.310 nan 0.000 0.495 419 Y N 0.138 120.422 120.300 -0.027 0.000 2.128 419 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 419 Y C 2.604 178.516 175.900 0.021 0.000 1.154 419 Y CA 1.511 59.613 58.100 0.004 0.000 1.149 419 Y CB -0.522 37.941 38.460 0.006 0.000 0.976 419 Y HN 0.318 nan 8.280 nan 0.000 0.505 420 Y N 1.258 121.603 120.300 0.075 0.000 2.128 420 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 420 Y C 2.268 178.195 175.900 0.046 0.000 1.154 420 Y CA 1.694 59.815 58.100 0.034 0.000 1.149 420 Y CB -0.285 38.170 38.460 -0.008 0.000 0.976 420 Y HN -0.068 nan 8.280 nan 0.000 0.505 421 K N -0.350 120.146 120.400 0.160 0.000 2.032 421 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 421 K C 1.976 178.568 176.600 -0.013 0.000 1.048 421 K CA 1.624 57.954 56.287 0.072 0.000 0.927 421 K CB -0.584 31.975 32.500 0.099 0.000 0.712 421 K HN 0.307 nan 8.250 nan 0.000 0.441 422 L N 1.957 123.191 121.223 0.017 0.000 1.989 422 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 422 L C 1.972 178.843 176.870 0.001 0.000 1.071 422 L CA 2.118 56.971 54.840 0.021 0.000 0.749 422 L CB -0.666 41.441 42.059 0.080 0.000 0.890 422 L HN 0.162 nan 8.230 nan 0.000 0.431 423 D N -0.686 119.700 120.400 -0.023 0.000 2.104 423 D HA -0.303 4.337 4.640 -0.000 0.000 0.194 423 D C 2.270 178.510 176.300 -0.102 0.000 0.994 423 D CA 1.887 55.854 54.000 -0.056 0.000 0.830 423 D CB -0.192 40.561 40.800 -0.078 0.000 0.959 423 D HN 0.374 nan 8.370 nan 0.000 0.452 424 K N 0.384 120.648 120.400 -0.226 0.000 2.074 424 K HA -0.276 4.044 4.320 -0.000 0.000 0.209 424 K C 2.160 178.731 176.600 -0.048 0.000 1.048 424 K CA 1.512 57.681 56.287 -0.197 0.000 0.926 424 K CB -0.144 32.177 32.500 -0.299 0.000 0.713 424 K HN 0.045 nan 8.250 nan 0.000 0.444 425 K N 0.315 120.701 120.400 -0.025 0.000 2.032 425 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 425 K C 2.058 178.706 176.600 0.080 0.000 1.048 425 K CA 1.554 57.858 56.287 0.028 0.000 0.927 425 K CB -0.036 32.458 32.500 -0.010 0.000 0.712 425 K HN 0.107 nan 8.250 nan 0.000 0.441 426 I N 1.123 121.732 120.570 0.065 0.000 2.142 426 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 426 I C 2.467 178.691 176.117 0.178 0.000 1.078 426 I CA 1.089 62.462 61.300 0.122 0.000 1.343 426 I CB -1.073 36.995 38.000 0.112 0.000 1.046 426 I HN 0.272 nan 8.210 nan 0.000 0.405 427 I N 1.189 121.821 120.570 0.103 0.000 2.439 427 I HA -0.211 3.958 4.170 -0.000 0.000 0.251 427 I C 2.644 178.844 176.117 0.138 0.000 1.139 427 I CA 1.366 62.730 61.300 0.106 0.000 1.438 427 I CB -0.386 37.637 38.000 0.038 0.000 1.085 427 I HN 0.246 nan 8.210 nan 0.000 0.427 428 S N 0.070 115.842 115.700 0.121 0.000 2.355 428 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 428 S C 2.124 176.811 174.600 0.145 0.000 1.031 428 S CA 1.190 59.459 58.200 0.114 0.000 0.993 428 S CB -1.396 61.863 63.200 0.097 0.000 0.859 428 S HN 0.471 nan 8.310 nan 0.000 0.453 429 F N 1.401 121.390 119.950 0.064 0.000 2.171 429 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 429 F C 2.238 178.074 175.800 0.059 0.000 1.090 429 F CA 1.017 59.051 58.000 0.056 0.000 1.293 429 F CB -0.518 38.521 39.000 0.065 0.000 1.013 429 F HN 0.207 nan 8.300 nan 0.000 0.486 430 Y N 1.041 121.365 120.300 0.040 0.000 2.200 430 Y HA -0.217 4.333 4.550 0.000 0.000 0.290 430 Y C 2.375 178.211 175.900 -0.106 0.000 1.137 430 Y CA 1.958 60.029 58.100 -0.047 0.000 1.163 430 Y CB -0.611 37.869 38.460 0.034 0.000 0.988 430 Y HN -0.003 nan 8.280 nan 0.000 0.518 431 N N 0.295 119.040 118.700 0.075 0.000 2.069 431 N HA -0.202 4.538 4.740 -0.000 0.000 0.191 431 N C 2.016 177.454 175.510 -0.120 0.000 1.031 431 N CA 1.420 54.470 53.050 0.000 0.000 0.852 431 N CB -0.539 37.975 38.487 0.044 0.000 1.018 431 N HN 0.348 nan 8.380 nan 0.000 0.423 432 R N 1.102 121.512 120.500 -0.151 0.000 2.096 432 R HA -0.083 4.257 4.340 -0.000 0.000 0.240 432 R C 1.783 177.904 176.300 -0.298 0.000 1.139 432 R CA 1.282 57.263 56.100 -0.199 0.000 0.952 432 R CB 0.080 30.261 30.300 -0.199 0.000 0.854 432 R HN 0.089 nan 8.270 nan 0.000 0.436 433 K N 0.173 120.282 120.400 -0.485 0.000 2.097 433 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 433 K C 2.058 178.447 176.600 -0.353 0.000 1.049 433 K CA 1.130 57.128 56.287 -0.482 0.000 0.933 433 K CB -0.030 32.078 32.500 -0.652 0.000 0.717 433 K HN 0.299 nan 8.250 nan 0.000 0.442 434 Q N 0.521 120.107 119.800 -0.357 0.000 2.172 434 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 434 Q C 1.909 177.818 176.000 -0.151 0.000 0.964 434 Q CA 0.789 56.440 55.803 -0.253 0.000 0.855 434 Q CB -0.116 28.491 28.738 -0.218 0.000 0.918 434 Q HN 0.222 nan 8.270 nan 0.000 0.444 435 K N 0.792 121.111 120.400 -0.134 0.000 2.360 435 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 435 K C 0.180 176.729 176.600 -0.086 0.000 1.046 435 K CA 0.525 56.758 56.287 -0.089 0.000 0.945 435 K CB 0.074 32.529 32.500 -0.075 0.000 0.750 435 K HN 0.035 nan 8.250 nan 0.000 0.464 436 A N 2.361 125.115 122.820 -0.110 0.000 2.922 436 A HA 0.134 4.454 4.320 -0.000 0.000 0.298 436 A C -0.537 176.996 177.584 -0.085 0.000 1.588 436 A CA -0.272 51.709 52.037 -0.093 0.000 1.288 436 A CB -0.124 18.813 19.000 -0.106 0.000 1.130 436 A HN 0.243 nan 8.150 nan 0.000 0.557 437 E N 0.000 120.161 120.200 -0.064 0.000 2.725 437 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 437 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 437 E CB 0.000 29.676 29.700 -0.041 0.000 0.812 437 E HN 0.000 nan 8.360 nan 0.000 0.440